正己基硫脲

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

正己基硫脲 基本信息

中文名称:
正己基硫脲 
中文别名:
正己基硫脲;
1-己基-2-硫脲 
英文名称:
Thiourea, N-hexyl-
英文别名:
hexylthiourea;
Thiourea,N-hexyl;
1-n-hexyl-2-thiourea;
N-(n-Hexyl)thiourea;
N-Hexylthioharnstoff;
1-Hexyl-2-thiourea;
Hexyl-thioharnstoff;
n-Hexylthiourea;
N-n-Hexyl-thioharnstoff;
hexyl-thiourea 
CAS No.:
21071-27-2
分 子 式:
C7H16N2S
分 子 量:
160.28
精确分子量:
160.10300
PSA:
70.14000
MDL:
MFCD00041198
BRN:
1752337
InChI:
The Key: LMYQWQCDUHNQLF-UHFFFAOYSA-N
风险术语:
R20/22;
安全术语:
S22; S36/37;
分子结构式:
SDS:
查看

正己基硫脲 物化性质

密度:
0.992 g/cm3
熔点:
82-83°C
沸点:
240.8ºC at 760 mmHg
闪点:
99.4ºC
折射率:
1.517
蒸汽压:
0.0372mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物

其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):未确定

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):82-83

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

正己基硫脲 安全信息

包装等级:
III
风险类别:
6.1
危险类别码:
R20/22
安全说明:
S22-S36/37/39
安全标志:
S22:不要吸入粉尘。
:

正己基硫脲 毒理性

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

正己基硫脲 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Hexylthiourea    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    P330:        Rinse mouth    

Section 3. Composition/information on ingredients.
    Ingredient name:        Hexylthiourea    
    CAS number:        21071-27-2    

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C7H16N2S    
    Molecular weight:        160.3    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

正己基硫脲 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:48.89

2、   摩尔体积(m3/mol)161.5

3、   等张比容(90.2K)414.1

4、   表面张力(dyne/cm)43.1

5、   极化率(10-24cm3)19.38

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:5

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:10

8.表面电荷:0

9.复杂度:93.6

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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