反丁烯二酰氯

Fumaryl chloride

HCID 5325504CAS 627-63-4

基本信息

标准SMILES
O=C(Cl)/C=C/C(=O)Cl
InChIKey
ZLYYJUJDFKGVKB-OWOJBTEDSA-N
分子式
C4H2Cl2O2
平均分子量
152.96 g/mol
单同位素质量
151.94318466

概述

Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.

名称与标识

首选名称
Fumaryl chloride
IUPAC
(E)-but-2-enedioyl dichloride
中文名
反丁烯二酰氯
英文名
Fumaryl chloride
分子式
C4H2Cl2O2
分子量
152.96

名称与别名

FUMARYL CHLORIDE627-63-4Fumaroyl dichlorideFumaroyl chlorideFumarylchloridfumaryl dichlorideChlorure de fumaryle2-Butenedioyl dichloride, (E)-2-Butenedioyl dichloride, (2E)-Dichlorid kyseliny fumaroveTL 189Fumaric acid dichloride
展开更多名称
霄马氯富马酰氯丁烯二酰氯延胡索醯氯反丁烯二醯氯反丁烯二酰氯延胡索酰基氯富马酰氯,95%丁烯二酰氯(反式)福马酰氯,富马酰氯trans-2-Butenedioyl dichloridetl189fumarylFumarylChoridefumaroylchloride
DTXSID3033519B95L4812RGFUMARIC DICHLORIDEFUMARIC ACID CHLORIDEDTXCID1013519RefChem:607705211-005-4(E)-but-2-enedioyl dichloride

数据库标识

CAS
627-63-4
PubChem CID
5325504
DTXSID
DTXSID3033519
ChEMBL
CHEMBL2143883
UNII
B95L4812RG
EC Number
211-005-4
Nikkaji
J517G、J581.481B

性质

结构计算性质

XLogP
1.5
极性表面积
34.1 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
8

实验与物化性质

Chemical Classes · 2 条

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure2.07 [mmHg]
Physical Description · 2 条

Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.

Fuming straw-colored liquid with a pungent odor; [CAMEO] Colorless liquid with an acrid odor; [Alfa Aesar MSDS]

物理化学性质

熔点
-2 °C · -2 °C
沸点
161 · 161-164 °C(lit.)
密度
1.415 g/mL · 1.415 g/mL at 25 °C(lit.)
折射率
20 · n20/D 1.499(lit.)
闪点
165 °F · 165 °F
储存条件
2 · 2-8°C

化学性质

淡黄色液体。沸点158-160℃,63℃(1.68kPa),相对密度1.408(20℃),折光率1.5004(18℃),闪点73℃。

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Fumaryl chloride: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive
Fire Hazards · 2 条

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 条

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards Summary · 1 条

A severe skin and eye irritant; Causes musculoskeletal changes in inhalation lethal-concentration studies of mice; [RTECS] Corrosive to tissue; Vapor causes eye and mucous membrane irritation; [CAMEO] Reacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]

DOT ID and Guide1780 156

安全与防护

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 2 条

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 条

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation · 2 条

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

毒理信息

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 500 ppm/4hr

安全数据

F
21
wgk
3
tsca
TSCA listed
RTECS号
LT2800000
包装类别
II
危险等级
8

化学与工业

用途与制造

General Manufacturing Information2-Butenedioyl dichloride, (2E)-: ACTIVE

应用领域

用途用于有机合成。

用途反应活性很高的有机中间体。

制备方法

生产方法由顺丁烯二酸酐与邻苯二甲酰氯在氯化锌存在下反应而得。将顺丁烯二酸酐、工业邻苯二甲氯和无水氯化锌在130-135℃加热2h,注意避免过热。然后冷却到90-95℃,迅速进行蒸馏,收集62-64(1.73kPa)馏分即为反丁烯二酰氯,收率90%左右。此外,由外,由反丁烯二酸与邻苯二甲酰氯或亚硫酰氯或五氯化磷反应也可制得反丁烯二酰氯。

试剂价格

A14540 · 25g
富马酰氯, 95%Fumaryl chloride, 95% — 549元
16597 · 25ml
富马酰氯Fumaryl chloride, 95%, Thermo Scientific Chemicals — 625元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

相关反应

16 条

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