4-クロロブチロニトリル

4-Chlorobutyronitrile

HCID 12336CAS 628-20-6
部分構造検索類似構造を探す

基本情報

標準SMILES
N#CCCCCl
InChIKey
ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
分子式
C4H6ClN
平均分子量
103.55 g/mol
単同位体質量
103.01887687

名称と識別子

優先名称
4-Chlorobutyronitrile
IUPAC
4-chlorobutanenitrile
現地名
4-クロロブチロニトリル
英語名
4-Chlorobutyronitrile
分子式
C4H6ClN
分子量
103.55

名称と別名

4-Chlorobutyronitrile628-20-64-ChlorobutanenitrileButanenitrile, 4-chloro-gamma-ChlorobutyronitrileBUTYRONITRILE, 4-CHLORO-C4H6ClN4-chloro-butyronitrileMFCD00001972.gamma.-Chlorobutyronitrile9JDK6275GPNSC-8410
名称をさらに表示
4-クロロブチロニトリルγ-クロロブチロニトリル4-クロロブタンニトリル3-クロロプロピルシアニド4クロロブタンニトリル4-クロロブチロニトリル 塩化物1-クロロ-3-シアノプロパンクロロブチロニトリルγクロロブチロニトリル4‐クロロブチロニトリルorobutyronitriL4-chloronitrile4- chloridenitrilechlorobutyronitrile4-Chlorbutyronitrile4-chloro-butyronitril4-chloro-butanenitril
1-Chloro-3-cyanopropaneNSC 8410; gamma-ChlorobutyronitrileNSC 8410EINECS 211-031-6BRN 1633582AI3-523254chlorobutyronitrile?-Chlorobutyronitrile

データベース識別子

CAS
628-20-6
PubChem CID
12336
DTXSID
DTXSID0060850
UNII
9JDK6275GP
EC Number
211-031-6
Nikkaji
J519C

物性

構造計算による物性

XLogP
0.6
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
6

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesSchoenflies notation
LogP0.56
Vapor Pressure1.0 [mmHg]
Physical DescriptionWhite to light yellow liquid; [CHRIS] Colorless liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点
195 · 195-197 °C (lit.)
比重(密度)
1.095 g/mL · 1.095 g/mL at 20 °C
屈折率
20 · n20/D 1.442(lit.)
闪点
185 °F · 185 °F
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
クロロホルム、酢酸エチル（微量）
化学的性質 · 1 件

化学的特性Clear Colourless Liquid. 4-Chlorobutyronitrile [628-20-6], 4- chlorobutanenitrile, Cl (CH2 )3CN, Mr 103.55, bp 189 – 191℃ (101.3 kPa), d154 1.0934, n20D 1.4413, is a liquid, miscible with ethanol and diethyl ether; it is immiscible with water.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information4-Chlorobutyronitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; [CAMEO] An eye, nose, and throat irritant; [CHRIS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 3-Chloropropanonitrile.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全と保護具

Exposure Control and Personal Protection · 1 件

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

wgk
3
tsca
TSCA listed
rtecs
ET9020000
ridadr
UN 3276 6.1/PG 3
hs_code
29269095
risk_code
25-36/37/38

化学と産業

用途と製造

General Manufacturing InformationButanenitrile, 4-chloro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用4-Chlorobutyronitrile (cas# 628-20-6) is a compound useful in organic synthesis.

一般的な説明A liquid. Flash point 85°F. Density about 9.7 lb / gal and practically insoluble in water (2 parts/100 parts water). Hence sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.

上流・下流製品情報

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