1,2-二溴-1,2-联苯乙烷

1,2-二溴-1,2-联苯乙烷 基本信息
CAS号 5789-30-0 分子式 C14H12Br2
分子量 340.05300 精确质量  337.93100
PSA  0.00000 LogP  5.25880

等价的CAS号:

5789-30-0,13027-48-0,13440-24-9,67064-40-8,68331-59-9

基本信息 展开↓

CAS号:
5789-30-0
3D弹球模型:
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分子式:
C14H12Br2
分子量:
340.05300
中文名称:
1,2-二溴-1,2-联苯乙烷
英文名称:
1,2-Dibromo-1,2-diphenylethane
中文别名:
1,2-二溴-1,2-联苯乙烷;
1,2-二溴-1,2-二苯基乙烷
英文别名:
1,2-Dibromo-1,2-diphenylethane;
Bibenzyl, .α.,.α.'-dibromo-
精确分子量/精确质量:
337.93100
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。
EINECS:
227-324-7
InChI:
The Key: GKESIQQTGWVOLH-KBPBESRZSA-N

物化性质展开↓

外观与性状:
白色至淡黄色-橙色粉末
密度:
1.613 g/cm3
熔点:
235-241ºC
沸点:
323.8ºC at 760 mmHg
闪点:
173.2ºC
折射率:
1.702
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定。
与强氧化剂反应。

其它信息:

1.      性状:白色或浅黄色粉末

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):235-241

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,0.07mmHg):未确定

7.      折射率(n20/D):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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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↓

危险类别码:
R36/37/38
安全说明:
24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 13027-48-0

    Benzene, 1,1'-[(1R,2R)-1,2-dibromo-1,2-ethanediyl]bis-, rel-

  • 5789-30-0

    1,2-二溴-1,2-联苯乙烷

  • +

  • 68331-59-9

    (-)-(R,R)-1,2-dibromo-1,2-diphenylethane

  • 103-30-0

    反式-1,2二苯乙烯

  • 13440-24-9

    1,2-二溴-1,2-二苯基乙烷

  • +

  • 5789-30-0

    1,2-二溴-1,2-联苯乙烷

MSDS 展开↓

Name: 1 2-Dibromo-1 2-diphenylethane 96% Material Safety Data Sheet
Synonym: Stilbene dibromide; meso-1,2-Dibromo-1,2-diphenylethan
CAS: 5789-30-0
Section 1 - Chemical Product   MSDS Name:1 2-Dibromo-1 2-diphenylethane 96% Material Safety Data Sheet
Synonym:Stilbene dibromide; meso-1,2-Dibromo-1,2-diphenylethan

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5789-30-0 1,2-Dibromo-1,2-diphenylethane 96 227-324-7
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Lachrymator (substance which increases the flow of tears).Corrosive.
Potential Health Effects
Eye:
Lachrymator (substance which increases the flow of tears). Causes eye irritation and possible burns.
Skin:
Causes skin irritation and possible burns.
Ingestion:
May cause irritation of the digestive tract and possible burns.
Inhalation:
May cause severe irritation of the respiratory tract with possible burns.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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# 5789-30-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: Pale-Orange Fluffy Powder
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 241 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:
Specific Gravity/Density:
Molecular Formula: C14H12Br2
Molecular Weight: 340.05

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5789-30-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Dibromo-1,2-diphenylethane - Not listed by ACGIH, IARC, or NTP.

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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5789-30-0: No information available.
Canada
CAS# 5789-30-0 is listed on Canada's NDSL List.
CAS# 5789-30-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5789-30-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):4.8

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:3

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):0

7、   重原子数量:16

8、   表面电荷:0

9、   复杂度:171

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:2

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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