3-氯苯硫脲

  • 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
  • 下游产品

3-氯苯硫脲 基本信息

中文名称:
3-氯苯硫脲 
中文别名:
1-(3-氯苯基)-2-硫脲;
3-氯苯硫脲;
3-氯苯(基)硫脲 
英文名称:
Thiourea,N-(3-chlorophenyl)-
英文别名:
3-CHLOROPHENYLTHIOUREA;
N-(3-Chlorophenyl)thiourea;
(3-chlorophenyl)thiourea;
1-(3-CHLOROPHENYL)-2-THIOUREA;
1-(3-Chlorophenyl)thiourea;
3-Chlorophenylthiourea 
CAS No.:
4947-89-1
分 子 式:
C7H7ClN2S
分 子 量:
186.67
精确分子量:
186.00200
PSA:
70.14000
MDL:
MFCD00022165
BRN:
2090370
InChI:
InChI=1/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
危险品标志:
T+
风险术语:
R28;
安全术语:
S22; S28; S36/37;
SDS:
查看

3-氯苯硫脲 物化性质

密度:
1.441g/cm3
熔点:
137-138 °C
沸点:
296.7ºC at 760mmHg
闪点:
133.2ºC
折射率:
1.727
存储条件/存储方法:

 常温,避光,通风干燥处,密封保存  

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:不确定

2.       密度(g/mL ,25/4℃):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):137-138

5.       沸点(ºC):不确定

6.       沸点(ºC,14mmHg):不确定

7.       折射率(nD20):不确定

8.       闪点(ºF):不确定

9.       比旋光度(º, C=0.25, MeOH):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

3-氯苯硫脲 安全信息

包装等级:
II
风险类别:
6.1
海关代码:
2930909090
危险类别码:
R28
安全说明:
S45-S36/37/39-S28A-S22
RTECS号:
YS7000000
安全标志:
S22:不要吸入粉尘。
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T+: Very toxic;T: Toxic;

3-氯苯硫脲 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS7000000
CHEMICAL NAME :
Urea, 1-(m-chlorophenyl)-2-thio-
CAS REGISTRY NUMBER :
4947-89-1
BEILSTEIN REFERENCE NO. :
2090370
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H7-Cl-N2-S
MOLECULAR WEIGHT :
186.67
WISWESSER LINE NOTATION :
SUYZMR CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947
毒理学数据:

1、急性毒性:小鼠口径LD50:25 mg/kg。

生态数据:

该物质对环境可能有危害,对水体应给予特别注意

3-氯苯硫脲 MSDS

Name: 1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:
CAS: 4947-89-1
Section 1 - Chemical Product   MSDS Name:1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4947-89-1 1-(3-Chlorophenyl)-2-thiourea unlisted
Hazard Symbols: T+
Risk Phrases: 28 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Poison room locked.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4947-89-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 138 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H7ClN2S
Molecular Weight: 186.67

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4947-89-1: YS7000000 LD50/LC50:
CAS# 4947-89-1: Oral, rat: LD50 = 25 mg/kg.
Carcinogenicity:
1-(3-Chlorophenyl)-2-thiourea - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 28 Very toxic if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4947-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4947-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4947-89-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氯苯硫脲 海关数据

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-氯苯硫脲 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:51.58

2、   摩尔体积(m3/mol):129.5

3、   等张比容(90.2K):377.6

4、   表面张力(dyne/cm):72.2

5、   极化率10-24cm3):20.44

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:2

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积70.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:151

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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