1,2-二溴-1,1,2-三氯乙烷

1,2-二溴-1,1,2-三氯乙烷 基本信息
CAS号 13749-38-7 分子式 C2HBr2Cl3
分子量 291.19600 精确质量 　287.75100
PSA 　0.00000 LogP 　3.47250
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
13749-38-7
3D弹球模型：
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分子式：
C2HBr2Cl3
分子量：
291.19600
中文名称：
1,2-二溴-1,1,2-三氯乙烷
英文名称：
1,2-Dibromo-1,1,2-trichloroethane
中文别名：
1,2-二溴-1,1,2-三氯乙烷
英文别名：
1,2-Dibromo-1,1,2-trichloroethane;
1,2-DIBROMO-1,1,2-TRICHLOROETHANE
精确分子量/精确质量：
287.75100
极性分子表面积/PSA：
0.00000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00018841
EINECS：
237-330-1
InChI：
The Key: VXKOVUFOVCJHBA-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
透明无色液体
密度：
1.701 g/mL at 25ºC(lit.)
沸点：
94-95ºC10 mm Hg(lit.)
闪点：
>230 °F
折射率：
n20/D 1.569(lit.)
蒸汽压：
0.417mmHg at 25°C
其它信息：

1.       性状：未确定

2.       密度（g/mL,25/4℃）：1.701

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）：94-95

7.       折射率：n20/D 1.569

8.       闪点（ºC）：＞110

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：不适用的

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

安全信息展开↓

海关代码：
2903799090
危险类别码：
R36/37/38
安全说明：
26-36
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：
Xi: Irritant;

合成路线查看所有的合成路线

  • 79-01-6

    三氯乙烯

  • →

    ~74%

  • 13749-38-7

    1,2-二溴-1,1,2-三氯乙烷

  • 79-01-6

    三氯乙烯

  • +

  • 52176-02-0

    ethyl N-bromocarbamate

  • →

  • 13749-38-7

    1,2-二溴-1,1,2-三氯乙烷

  • +

  • 51945-87-0

    ethyl N-(2-bromo-2,2-dichloroethylidene)carbamate

  • +

  • 129507-70-6

    2-bromo-2,2-dichloro-1,1-di(ethoxycarbonylamino)ethane

  • +

  • 51-79-6

    氨基甲酸乙酯

  • 938-05-6

    N,N-二溴苯磺酰胺

  • +

  • 79-01-6

    三氯乙烯

  • →

  • 13749-38-7

    1,2-二溴-1,1,2-三氯乙烷

  • +

  • 119200-29-2

    N-(2-bromo-2,2-dichloroethylidene)benzenesulfonamide

MSDS 展开↓

Name: 1 2-Dibromo-1 1 2-trichloroethane 97% Material Safety Data Sheet
Synonym:
CAS: 13749-38-7
Section 1 - Chemical Product   MSDS Name:1 2-Dibromo-1 1 2-trichloroethane 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13749-38-7 1,2-Dibromo-1,1,2-trichloroethane 97% 237-330-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
High vapor concentrations may cause drowsiness. May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.
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 extinguishing media most appropriate for the surrounding fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
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 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Appearance: colourless
Odor: mild ether-like odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 200 deg C (> 392.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C2HBr2Cl3
Molecular Weight: 291.174
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, excess heat, temperatures above 200C.
Incompatibilities with Other Materials:
Metals, oxidizing agents, lithium, titanium, manganese.
Hazardous Decomposition Products:
Hydrogen chloride, phosgene, hydrogen bromide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13749-38-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Dibromo-1,1,2-trichloroethane - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 13749-38-7: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13749-38-7 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 13749-38-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2903799090

概述：
2903799090 其他无环烃卤化衍生物（含二种或三种以上不同卤素）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
摘要/Summary：
2903799090 halogenated derivatives of acyclic hydrocarbons containing two or more different halogens。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：41.25

2、   摩尔体积（m3/mol）：122.4

3、   等张比容（90.2K）：323.8

4、   表面张力（dyne/cm）：48.8

5、   极化率（10-24cm3）：16.35

计算化学数据

1.疏水参数计算参考值（XlogP）:3.8

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:7

8.表面电荷:0

9.复杂度:64

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:1

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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