5000-66-8 (2-溴-2'-氯苯乙酮,2-Bromo-1-(2-chlorophenyl)ethan-1-one)

快速询单

结构式：

2-溴-2'-氯苯乙酮MOL文件

CAS号：

5000-66-8

中文名称：

2-溴-2'-氯苯乙酮

英文名称：

2-Bromo-1-(2-chlorophenyl)ethan-1-one

安全信息：

分子式：

C₈H₆BrClO

分子量：

233.489640712738

API：

Tulobuterol

2-溴-2'-氯苯乙酮(5000-66-8)名称与标识符

名称

中文别名：

2-溴-2'-氯苯乙酮;alpha-溴代邻氯苯乙酮;α-溴代邻氯苯乙酮;2-溴-1-(2-氯苯基)乙酮;2-溴-2′-氯苯乙酮;2-溴-2鈥氯苯乙酮;2-溴-2''-氯苯乙酮;2-溴-2-氯苯乙酮;a-溴代邻氯苯乙酮;2-溴-2’-氯苯乙酮;

英文别名：

2-Bromo-2'-chloroacetophenone;2-Bromo-1-(2-chlorophenyl)ethan-1-one;2-Chloro-2'-bromoacetophenone;2’-Chloro-2-bromoacetophenone;2-Bromo-1-(2-chlorophenyl)-1-ethanone;2-bromo-1-(2-chlorophenyl)ethanone;2-Bromo-2’-chloroacetophenone;2-CHLOROPHENACYL BROMIDE, TECH;2-Bromo-2‘-chloroacetophenone;2-Bromo-2′-chloroacetophenone;2'-Chlorophenacyl bromide;2-chlorophenacyl bromide;2'-Chloro-2-bromoacetophenone;2-bromo-1-(2-chloro-phenyl)-ethanone;BROMOMETHYL 2-CHLOROPHENYL KETONE;zlchem 501;2-chlorophenacylbromide;PubChem11080;2-chloro phenacylbromide;2-Brom;2-Bromo-2-chloroacetophenone;2-bromo-2'-chloro;CS-0008415;EN300-20758;FT-0611329;2-Bromo-2 inverted exclamation mark -chloroacetophenone;Acetophenone, 2-bromo-2'-chloro-;AKOS000210546;J-508137;o-Chlorophenacyl bromide;NS00126534;2-bromo-1-(2'-chlorophenyl) ethanone;DTXSID30370945;F0001-1306;SCHEMBL38141;2-bromo-2'-chloro acetophenone;WZWWEVCLPKAQTA-UHFFFAOYSA-N;2-bromo-1-(2-chlorophenyl) ethanone;MFCD00832993;5000-66-8;AM20040572;2-Bromo-2'-chloroacetophenone, 95%;A7434;P72V4K6QZC;SY004173;1Y-0714;2-bromo-1-(chloro-phenyl)-ethanone;2-Bromo-2\\'-chloroacetophenone;ALBB-021379;DB-020950;Ethanone, 2-bromo-1-(2-chlorophenyl)-;STL131875;

标识符

MDL：

MFCD00832993

InChIKey：

WZWWEVCLPKAQTA-UHFFFAOYSA-N

Inchi：

1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

SMILES：

BrCC(C1C=CC=CC=1Cl)=O

2-溴-2'-氯苯乙酮(5000-66-8)物化性质

实验特性

LogP : 2.91760
PSA : 17.07000
折射率 : n20/D 1.590(lit.)
沸点 : 105 °C/1 mmHg(lit.)
熔点 : 162-166 ºC (20 MMHG)
闪点 : 华氏：>230 °F
摄氏：>110 °C
颜色与性状 : 灰黄色液体
溶解性 : 不确定
敏感性 : Lachrymatory
密度 : 1.602 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 231.92900
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 231.929
重原子数量 : 11
复杂度 : 149
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.9
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 17.1

2-溴-2'-氯苯乙酮(5000-66-8)安全信息

符号： GHS05
WGK Germany： 3
安全术语： 8
安全说明： S26-S36/37/39-S45
包装等级： II
包装类别： II
风险术语： R34
危险等级： 8
危险品标志： C
危险品运输编号： UN 2922 8/PG 2
危害声明：H314
警示性声明：P280,P305+P351+P338,P310
储存条件： 2-8°C
PackingGroup： II
危险类别码： 34
信号词： Danger
HazardClass： 8

2-溴-2'-氯苯乙酮(5000-66-8)国际标准相关数据

EINECS：

MFCD00832993

2-溴-2'-氯苯乙酮(5000-66-8)海关数据

海关编码：

2914700090

海关数据：

中国海关编码：

2914700090

概述：

2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

Summary：

HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-溴-2'-氯苯乙酮(5000-66-8)生产方法和用途

方法：

由邻氯苯乙酮经溴化而得：将苯和邻氯苯乙酮加入反应锅中，搅拌下于室温加入一部分溴素，待反应液褪色后，再继续滴加溴，在反应开始时，根据反应情况也适当加热。溴素滴加完后，搅拌1h。加入冰水，搅拌后静置分层，取苯层用碳酸钠溶液洗涤，再用水洗。回收苯后即得α-溴代邻氯苯乙酮。

用途：

医药中间体。

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2-溴-2'-氯苯乙酮(5000-66-8)上下游

4-(2-氯苯基)-1,3-噻唑-2-胺 2-氯苯甲酰乙腈邻氯苯乙酮邻氯苯甲酰氯

2-溴-2'-氯苯乙酮(5000-66-8)相关文献

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2-溴-2'-氯苯乙酮(5000-66-8) MSDS

基础信息

Name:	2-Bromo-1-(2-chlorophenyl)ethan-1-one tech Material Safety Data Sheet
Synonym:	2-Bromo-2'-chloroacetophenon
CAS:	5000-66-8

Section 1 - Chemical Product ? MSDS Name:2-Bromo-1-(2-chlorophenyl)ethan-1-one tech Material Safety Data Sheet
Synonym:2-Bromo-2'-chloroacetophenon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5000-66-8	2-Bromo-1-(2-chlorophenyl)ethan-1-one		unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
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# 5000-66-8: 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: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 162 - 166 deg C @ 20mmHg
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: C8H6BrClO
Molecular Weight: 233.49

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, chlorine, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5000-66-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-(2-chlorophenyl)ethan-1-one - 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# 5000-66-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5000-66-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5000-66-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A