黄钟花醌

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

黄钟花醌 基本信息

中文名称:
黄钟花醌 
中文别名:
拉帕醇;
黄钟花醌 
英文名称:
1,4-Naphthalenedione,2-hydroxy-3-(3-methyl-2-buten-1-yl)-
英文别名:
Lapachol;
Greenhartin;
Taigu Wood;
Greenharten;
Tecomin;
taiguicacid 
CAS No.:
84-79-7
分 子 式:
C15H14O3
分 子 量:
242.27
精确分子量:
242.09400
PSA:
54.37000
MDL:
MFCD00001679
EINECS:
201-563-7
BRN:
75490
InChI:
InChI=1/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
危险品标志:
Xn
风险术语:
R20/21/22R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
查看

黄钟花醌 制备方法及用途

制备方法

由二元酚、酚和芳胺类氧化制取醌

合成制备方法

由二元酚、酚和芳胺类氧化制取醌

用途简介

用做防腐剂。有机合成试剂,制作医药和染料。

用途

用做防腐剂。有机合成试剂,制作医药和染料。

黄钟花醌 物化性质

外观与性状:
白色至黄色粉末
密度:
1.235 g/cm3
熔点:
141-143ºC(lit.)
沸点:
398.6ºC at 760 mmHg
闪点:
209ºC
折射率:
1.606
存储条件/存储方法:

常温

阴凉干燥处保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:有色物质

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):141-143

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:-未确定

8.       闪点(ºF):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(mmHg,20ºC):未确定

12.    饱和蒸气压(kPa,20 ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(MPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

黄钟花醌 安全信息

海关代码:
2914690090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22
安全说明:
26-36
RTECS号:
QL8750000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

黄钟花醌 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL8750000
CHEMICAL NAME :
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
CAS REGISTRY NUMBER :
84-79-7
BEILSTEIN REFERENCE NO. :
2051889
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C15-H14-O3
MOLECULAR WEIGHT :
242.29
WISWESSER LINE NOTATION :
L66 BV EVJ CQ D2UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
487 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,570,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
24 gm/kg/4W-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - changes in other cell count (unspecified)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
12 gm/kg/4W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 26,539,1967
毒理学数据:

1、   急性毒性:大鼠经口LDLo1200mg/kg

小鼠经口LD50487mg/kg

小鼠腹腔LD50400mg/kg

2、   其他多剂量毒性:狗经口TDLo24mg/kg/4W-I

                猴子经口TDLo12mg/kg/4W-I

生态数据:

常对水是不危害的,若无政府许可,勿将材料排入周围环境

黄钟花醌 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Lapachol    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 84-79-7    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Inhalation (Category 4), H332
    Acute toxicity, Dermal (Category 4), H312
    Acute toxicity, Oral (Category 4), H302
    Skin irritation (Category 2), H315
    Eye irritation (Category 2), H319
    Specific target organ toxicity - single exposure (Category 3), H335
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Xn Harmful        R20/21/22, R36/37/38    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P280        Wear protective gloves/ protective clothing.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : Natural Yellow 16    
    2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
    Formula        : C15H14O3    
    Molecular Weight        : 242,27 g/mol    
    CAS-No.        : 84-79-7    
    EC-No.        : 201-563-7    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone
    CAS-No.        84-79-7        Acute Tox. 4; Skin Irrit. 2; Eye        <= 100 %    
    EC-No.        201-563-7        Irrit. 2; STOT SE 3; H302,    
    H312, H315, H319, H332,
    H335
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone
    CAS-No.        84-79-7        Xn, R20/21/22 - R36/37/38        <= 100 %    
    EC-No.        201-563-7    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 141 - 143 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - mouse - 487 mg/kg
    Remarks: Behavioral:Somnolence (general depressed activity). Diarrhoea Prolonged skin contact may
    cause skin irritation and/or dermatitis.
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: QL8750000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Irrit.        Eye irritation    
    H302        Harmful if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    H335        May cause respiratory irritation.    
    Skin Irrit.        Skin irritation    
  Full text of R-phrases referred to under sections 2 and 3
    Xn        Harmful    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

黄钟花醌 海关数据

中国海关编码:2914690090

概述:
2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
摘要/Summary:
2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

黄钟花醌 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:67.61

2、   摩尔体积m3/mol:196.0

3、   等张比容90.2K:524.3

4、   表面张力dyne/cm:51.1

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:26.80

计算化学数据

1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:98

6.拓扑分子极性表面积54.4

7.重原子数量:18

8.表面电荷:0

9.复杂度:439

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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产品介绍:
产品名称:黄钟花醌 Cas号:84-79-7 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:黄经理 电话:027-59322316 手机:15827039378

湖北广奥生物科技有限公司

产品介绍:
产品名称:黄钟花醌 Cas号:84-79-7 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶,200kg镀锌铁桶/塑料桶,1t吨袋 价格:1.0元 - 1,000.0元
联系方式:
联系人:孙经理 电话:027-59223056 手机:15271829679

淄博航宇生物科技发展有限公司

产品介绍:
产品名称:黄钟花醌 Cas号:84-79-7 纯度:99% 包装信息:100kg 价格:洽谈
联系方式:
联系人:张经理 电话:15666366704 手机:15666366704

湖北万得化工有限公司

产品介绍:
产品名称:黄钟花醌 Cas号:84-79-7 纯度:99% 包装信息:1t吨袋,200kg镀锌铁桶/塑料桶,25kg纸板桶/编织袋/塑料桶,10kg铝听/纸箱,1kg铝箔袋/氟化瓶 价格:1.0元 - 1,000.0元
联系方式:
联系人:王念 电话:027-59210159 手机:15172311821