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
展开更多名称
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
- 形式电荷
- 0
- 复杂度
- 123
实验与物化性质
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
Physical Description
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
- 形态
- Liquid
- 颜色
- Clear yellow
- 比重
- 1.415 · 1.415 (20/4℃)
- 水溶解性
- decomposes
- 敏感性
- Moisture Sensitive
- BRN
- 1721342 · 1721342
- InChI
- 1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+
- InChIKey
- ZLYYJUJDFKGVKB-OWOJBTEDSA-N
- SMILES
- ClC(=O)\C=C\C(Cl)=O
- CAS 数据库
- 627 · 627-63-4(CAS DataBase Reference)
- NIST化学物质信息
- Fumaryl chloride(627-63-4)
- EPA化学物质信息
- 2 · 2-Butenedioyl dichloride, (2E)- (627-63-4)
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
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
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.)
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
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
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]
Reactivity Profile
FUMARYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, amines and other bases. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Fumaryl chloride
UN1780
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Acute Tox. 4 (100%)
Corrosives, Flammable agents - 2nd degree, Reactive agents - 2nd degree
安全与防护
Accidental Release Measures
· 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
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
毒理信息
安全数据
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- RTECS号
- LT2800000
- 包装类别
- II
- 危险等级
- 8
- 存储类别
- 8A - Combustible corrosive hazardous materials
- 安全说明
- 26-36/37/39-45-8-27
- 海关编码
- 29171990
- 危险品标志
- C
- 危险性类别
- Acute Tox. 4 DermalAcute Tox. 4 OralSkin Corr. 1B
- 危险类别码
- 20/21/22-34-37-29-36/37-14
- 危险品运输编号
- UN 1780
化学与工业
用途与制造
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。
上下游产品信息
上游原料
下游产品
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
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