CAS 2142-68-9 MFCD00000560-2'-Chloroacetophenone 邻氯苯乙酮 -LabNovo

2'-Chloroacetophenone 邻氯苯乙酮

CAS 2142-68-9 MFCD00000560

化学结构图

SMILES: CC(=O)c1ccccc1Cl

化学属性

Mol. Formula	C8H7ClO
Mol. Weight	154.59
Density	1.190
Refractive index	1.5430 to 1.5450
Flash Point	92°C
TSCA	Yes
Boiling Point	195.5 °C at 760 mmHg
Stability	催泪
Appearance	无色油状液体。沸点113℃（2.4kPa），相对密度1.188，折射率1.5438，闪点83℃。微溶或难溶于水中，可溶解在乙醚中。
Melting Point	52-56 °C
pH	:A

别名和识别编码

Chemical Name	2'-Chloroacetophenone
CAS Number	2142-68-9
Alfabeta Name	CHLOROPHENYLETHANONE 12()--
MDL Number	MFCD00000560
Synonym	1-(2-Chlorophenyl)ethanone {LY} 1-(2-Chlorophenyl)ethanone {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number	218-397-6
Beilstein Registry Number	7(1)151
PubChem Substance ID	72864
Chemical Name Translation	邻氯苯乙酮
Reaxys-RN	1858916
Wiswesser Line Notation	GR BV1
InChIKey	ZDOYHCIRUPHUHN-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00174094
InChI	InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
Canonical SMILES	C1=C(C(=CC=C1)Cl)C(C)=O

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安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R22 Harmful if swallowed 吞咽有害

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P312
P301+P312+P330
P301+P317
P302+P352
P302+P352+P332+P313+P362+
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSAM6310000

Packing GroupII

UN Number 3416

Hazard statements

H227 Combustible liquid 可燃液体
H302 Harmful if swallowed 吞食有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes Xn,Xi,T+ Xn

Hazard Class6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 880 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CroHP# Personal Communication from H.P. Crocker, Ultimate Holding
   Co.-Reckitt & Colman Ltd., London, UK, Sept. 2, 1980
   Volume(issue)/page/year: 02SEPT1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1820 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CroHP# Personal Communication from H.P. Crocker, Ultimate Holding
   Co.-Reckitt & Colman Ltd., London, UK, Sept. 2, 1980
   Volume(issue)/page/year: 02SEPT1980

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

可燃性危险特性:热分解排出有毒氯化物烟雾
毒性分级:中毒
储运特性:库房低温通风干燥
急性毒性:口服-大鼠 LD50: 1820 毫克/公斤; 口服-小鼠 LD50: 880 毫克/公斤
图谱信息:2'-氯苯基乙酮(2142-68-9)红外图谱(IR1) 2'-氯苯基乙酮(2142-68-9)核磁图( 1 HNMR) 2'-氯苯基乙酮(2142-68-9)质谱(MS) 2'-氯苯基乙酮(2142-68-9)核磁图( 13 CNMR)
TCI Shanghai:2'-氯苯乙酮 2'-Chloroacetophenone,>;97.0%(GC)(2142-68-9)
MOL 文件:2142-68-9.mol
MSDS 信息:2'-Chloroacetophenone(2142-68-9).msds
用途一:用作医药中间体
Acros Organics:2'-氯苯乙酮 2'-Chloroacetophenone, 97%(2142-68-9)
上游原料:三氯化铝 --> 邻氯苯甲酰氯 --> 2-硝基乙基苯
类别:有毒物质
海关编码:29147090
用途二:本品用于合成支气管扩张药盐酸氯丙那林（氯喘）及其他精细化学品等。
下游产品:2-溴-2'-氯苯乙酮
2'-氯苯基乙酮价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 xw010299 邻氯苯乙酮 100g 600元 2011/04/16 C1084 2'-氯苯乙酮 2'-Chloroacetophenone 25G 421元 2011/04/16 C1084 2'-氯苯乙酮 2'-Chloroacetophenone 250G 1810元
Hazard Note:Harmful/Irritant/Lachrymatory
灭火剂:水,二氧化碳, 泡沫, 干粉
Sigma Aldrich:2142-68-9(sigmaaldrich)
方法一:1.邻硝基乙苯法。2.邻氯苯甲酰氯法向反应器中先加入二氯甲烷，其中悬浮固体无水三氯化铝。再加入烷基铝卤化物（CH3）1.5AlCl1.5。当二氯甲烷开始回流时，迅速加入邻氯苯甲酰氯，添加后，继续搅拌1h。然后将反应混合物注入水中。此时因放热引起分解反应而使二氯甲烷沸腾。经蒸馏处理得产品。邻氯苯甲酰氯用量0.3mol，（CH3）1.5AlCl1.5 0.21mol，三氯化铝用量0.1mol；对1g邻氯苯甲酰氯采用1g-10g二氯甲烷。反应温度约40℃，产品收率98%。
敏感性:Lachrymatory
Alfa Aesar:2'-氯苯乙酮,98+% 2'-Chloroacetophenone, 98%(2142-68-9)

2'-Chloroacetophenone 邻氯苯乙酮

CAS 2142-68-9 MFCD00000560

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化学结构图

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