フマリルクロリド

Fumaryl chloride

HCID 5325504CAS 627-63-4
部分構造検索類似構造を探す

基本情報

標準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
単同位体質量
151.94318466

概要

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.

名称と識別子

優先名称
Fumaryl chloride
IUPAC
(E)-but-2-enedioyl dichloride
現地名
フマリルクロリド
英語名
Fumaryl chloride
分子式
C4H2Cl2O2
分子量
152.96

名称と別名

FUMARYL CHLORIDE627-63-4Fumaroyl dichlorideFumaroyl chlorideFumarylchloridfumaryl dichlorideChlorure de fumaryle2-Butenedioyl dichloride, (E)-2-Butenedioyl dichloride, (2E)-Dichlorid kyseliny fumaroveTL 189Fumaric acid dichloride
名称をさらに表示
フマリルクロリド(E)-2-ブテン二酸ジクロリドフマロイルジクロリドフマル酸ジクロリドブテンジオイルクロライドフマリル クロライド フマル酸 塩化物二塩化フマリル塩化フマリルフマル酸クロライド二塩化フマロイル塩化フマリル, 95%フマリルクロライドtrans-ブテンジオイルクロライド塩化フマロイル(2E)-ブタ-2-エンジオイル ジクロリドtrans-2-Butenedioyl dichloridetl189fumarylFumarylChoridefumaroylchloride
DTXSID3033519B95L4812RGFUMARIC DICHLORIDEFUMARIC ACID CHLORIDEDTXCID1013519RefChem:607705211-005-4(E)-but-2-enedioyl dichloride

データベース識別子

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

物性

構造計算による物性

XLogP
1.5
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
8

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Acid Halides

Corrosives

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

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]

物理化学的性質

融点
-2 °C · -2 °C
沸点
161 · 161-164 °C(lit.)
比重(密度)
1.415 g/mL · 1.415 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.499(lit.)
闪点
165 °F · 165 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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 件

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 件

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 件

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

安全と保護具

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

· 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 件

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 件

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

Immediate precautionary measure

毒性情報

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

安全データ

F
21
wgk
3
tsca
TSCA listed
rtecs
LT2800000
ridadr
UN 1780
hs_code
29171990

化学と産業

用途と製造

General Manufacturing Information2-Butenedioyl dichloride, (2E)-: ACTIVE
応用分野 · 2 件

使用Fumaryl chloride was used in the preparation of high molecular weight poly(propylene fumarate). The photodissociation dynamics of fumaryl chloride was studied. It is used in agrochemicals and pharmaceuticals manufacturing. Also used as an intermediate for dyes, textile auxiliaries and peroxide compounds. It is an acid halide building block.

一般的な説明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.

上流・下流製品情報

サプライヤー50 社

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]

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