3,3-二甲基吡啶胺

  • 基本信息
  • 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
  • 表征图谱

3,3-二甲基吡啶胺 基本信息

中文名称:
3,3-二甲基吡啶胺 
中文别名:
3,3'-二甲基吡啶胺;
3,3'-双(吡啶甲基)胺;
双(3-吡啶基甲基)胺;
3,3’-二甲基吡啶胺;
α,α'-亚胺二(3-甲基吡啶) 
英文名称:
3-Pyridinemethanamine,N-(3-pyridinylmethyl)-
英文别名:
1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;
Bis-pyridin-3-ylmethyl-amine;
α,α'-Iminodi(3-picoline);
Bis(3-pyridylmethyl)amine;
3,3'-Dipicolylamine 
CAS No.:
1656-94-6
分 子 式:
C12H13N3
分 子 量:
199.25
精确分子量:
199.11100
PSA:
37.81000
EINECS:
216-753-5
InChI:
The Key: FEBQXMFOLRVSGC-UHFFFAOYSA-N
风险术语:
R20/21/22R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

3,3-二甲基吡啶胺 物化性质

密度:
1.118g/cm3
沸点:
356.2ºC at 760mmHg
闪点:
169.2ºC
折射率:
1.589
蒸汽压:
2.98E-05mmHg at 25°C
其它信息:

1.       性状:未确定。

2.       密度(g/mL,25/4): 1.12

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

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(ºC): 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(kPa,25ºC): 未确定

12.    饱和蒸气压(kPa,60ºC): 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(KPa): 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

3,3-二甲基吡啶胺 安全信息

海关代码:
2933399090
危险类别码:
20/21/22-36/37/38
安全说明:
26-36/37/39
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。
:
危险标志:
Xi: Irritant;

3,3-二甲基吡啶胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT4397000
CHEMICAL NAME :
Pyridine, 3,3'-(iminodimethylene)di-
CAS REGISTRY NUMBER :
1656-94-6
BEILSTEIN REFERENCE NO. :
0162467
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N3
MOLECULAR WEIGHT :
199.28
WISWESSER LINE NOTATION :
T6NJ C1M1- CT6NJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956
毒理学数据:

急性毒性:小鼠静脉LD50250mg/kg

3,3-二甲基吡啶胺 MSDS

  Revision number: 5
  Bis(3-pyridylmethyl)amine
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
    Bis(3-pyridylmethyl)amine
  Product name:
    

    5
  Revision number:

Section 2. HAZARDS IDENTIFICATION
  GHS classification
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS
    Category 2
  Skin corrosion/irritation
    Category 2A
  Serious eye damage/eye irritation
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Warning
  Signal word
    Causes skin irritation
  Hazard statements
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    Bis(3-pyridylmethyl)amine
  Components:
    >97.0%(GC)
  Percent:
    1656-94-6
  CAS Number:
    3,3'-Dipicolylamine , α,α'-Iminodi(3-picoline)
  Synonyms:
    C12H13N3
  Chemical Formula:

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
  Bis(3-pyridylmethyl)amine

Section 4. FIRST AID MEASURES
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Get medical advice/attention if you feel unwell. Rinse mouth.
  Ingestion:
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  from the chemical:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a ventilation, local exhaust if vapour or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
  Bis(3-pyridylmethyl)amine

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
    Clear
  Form:
    Very pale yellow - Yellow
  Colour:
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
    No data available
  Boiling point/range:
    No data available
  Flash point:
  Flammability or explosive
  limits:
    No data available
  Lower:
    No data available
  Upper:
    1.12
  Relative density:
  Solubility(ies):
    No data available
  [Water]
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
    ivn-mus LD50:250 mg/kg
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
    No data available
  Germ cell mutagenicity:
  Carcinogenicity:
    No data available
  IARC =
    No data available
  NTP =
    No data available
  Reproductive toxicity:
    UT4397000
  RTECS Number:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
    No data available
  Crustacea:
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
    No data available
  Soil adsorption (Koc):
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
  Bis(3-pyridylmethyl)amine

Section 14. TRANSPORT INFORMATION
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
    Not listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3,3-二甲基吡啶胺 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,3-二甲基吡啶胺 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:60.06

2、   摩尔体积(m3/mol):178.2

3、   等张比容(90.2K):472.2

4、   表面张力(dyne/cm):49.3

5、   极化率10-24cm3):23.81

 

计算化学数据

1.疏水参数计算参考值(XlogP):无

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积37.8

7.重原子数量:15

8.表面电荷:0

9.复杂度:154

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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