2-溴苄氯

2-溴苄氯 基本信息
CAS号 578-51-8 分子式 C7H6BrCl
分子量 205.48000 精确质量  203.93400
PSA  0.00000 LogP  3.18790

基本信息 展开↓

CAS号:
578-51-8
3D弹球模型:
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分子式:
C7H6BrCl
分子量:
205.48000
中文名称:
2-溴苄氯
英文名称:
1-bromo-2-(chloromethyl)benzene
中文别名:
2-溴苄氯;
2-溴苯甲基氯;
2-溴苄基氯
英文别名:
1-bromo-2-(chloromethyl)benzene;
1-bromo-2-chloromethylbenzene;
Benzene,1-bromo-2-(chloromethyl);
o-bromobenzyl chloride;
bromobenzyl chloride;
2-Bromobenzyl chloride
精确分子量/精确质量:
203.93400
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:
MFCD00040863
BRN:
471701
InChI:
The Key: DDVSFIUKWUTKES-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明无色至淡黄色液体
密度:
1.541g/cm3
沸点:
110-111 °C (15 mmHg)
闪点:
110-111°C/15mm
折射率:
1.586
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

稳定性和反应性:

要避免的物料:氧化物,水分,潮湿,碱。

要分解的产品:一氧化碳和二氧化碳,溴化氢,氯化氢。

其它信息:

一、物性数据

1.       沸点(ºC,5.2kPa): 110-111

2.       折射率:n20/D 1.586(lit.)

3.       闪点(ºC):110-111

安全信息展开↓

包装等级:
III
风险类别:
8
危险类别码:
34
安全说明:
S45-S36/37/39-S26
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。
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:
C

合成路线查看所有的合成路线

  • 18982-54-2

    2-溴苄醇

  • ~92%

  • 578-51-8

    2-溴苄氯

  • 7647-01-0

    氯化氢

  • +

  • 50-00-0

    甲醛

  • +

  • 108-86-1

    溴代苯

  • +

  • 7646-78-8

    无水四氯化锡

  • 578-51-8

    2-溴苄氯

  • +

  • 589-17-3

    4-溴苄氯

  • 7791-25-5

    磺酰氯

  • +

  • 95-46-5

    邻溴甲苯

  • +

  • 94-36-0

    过氧化苯甲酰

  • 95-49-8

    2-氯甲苯

  • +

  • 611-19-8

    邻氯氯苄

  • +

  • 578-51-8

    2-溴苄氯

  • +

  • 3433-80-5

    2-溴溴苄

MSDS 展开↓

Name: 2-Bromobenzyl chloride 98% Material Safety Data Sheet
Synonym:
CAS: 578-51-8
Section 1 - Chemical Product   MSDS Name:2-Bromobenzyl chloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
578-51-8 2-Bromobenzyl chloride 98% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
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:
Do not induce vomiting. Get medical aid immediately.
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:
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 foam, dry chemical, or carbon dioxide.

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:
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.
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# 578-51-8: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 - 111 deg C @15mmHg
Freezing/Melting Point: Not available.
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: C7H6BrCl
Molecular Weight: 205.48

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, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 578-51-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromobenzyl chloride - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 578-51-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 578-51-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 578-51-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


五、分子性质数据:

1、   摩尔折射率:43.70

2、   摩尔体积(m3/mol):133.3

3、   等张比容(90.2K):333.0

4、   表面张力(dyne/cm):38.9

5、   极化率10-24cm3):17.32

计算化学数据


1.疏水参数计算参考值(XlogP):3

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:9

8.表面电荷:0

9.复杂度:85

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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