2-クロロ-4-ニトロベンゾニトリル

2-Chloro-4-nitrobenzonitrile

HCID 141401CAS 28163-00-0

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1ccc([N+](=O)[O-])cc1Cl
InChIKey: ZIGQFRQZYVQQDR-UHFFFAOYSA-N
分子式: C7H3ClN2O2
平均分子量: 182.56 g/mol
単同位体質量: 181.98830502

名称と識別子

優先名称: 2-Chloro-4-nitrobenzonitrile
IUPAC: 2-chloro-4-nitrobenzonitrile
現地名: 2-クロロ-4-ニトロベンゾニトリル
英語名: 2-Chloro-4-nitrobenzonitrile
分子式: C7H3ClN2O2
分子量: 182.56

名称と別名

2-Chloro-4-nitrobenzonitrile28163-00-0DTXSID70182428RefChem:86262DTXCID80104919679-112-2ZIGQFRQZYVQQDR-UHFFFAOYSA-NMFCD000522032-chloro-4-nitro-benzonitrileBenzonitrile, 2-chloro-4-nitro-SCHEMBL2477528JS-188C

名称をさらに表示

2-クロロ-4-ニトロベンゾニトリル2-CHLORO-4-NITROBENZONITRIL4-nitro-2-chlorobenzonitrile3-Chloro-4-cyanonitrobenzene2-Chloro-4-nitrobenzonitrile,98%2-Chloro-4-nitrobenzonitrile ISO 9001：2015 REACH

AKOS005073018CS-W017084AC-26147SY007287C3122EN300-1337452-chloro-4-nitrobenzenecarbonitrileFT-0611791

データベース識別子

CAS: 28163-00-0
PubChem CID: 141401
DTXSID: DTXSID70182428
EC Number: 679-112-2
Nikkaji: J180.812E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 69.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 83 · 83-84 °C
沸点: 337 · 337.0±27.0 °C(Predicted)
比重(密度): 1.6133 · 1.6133 (rough estimate)
屈折率: 1.5557 · 1.5557 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Orange to Green
CAS データベース: 28163 · 28163-00-0(CAS DataBase Reference)

化学的性質 · 1 件

化学的特性beige powder. 2-Chloro-4-nitrobenzonitrile [28163-00-0], 2-chloro-1-cyano-4-nitrobenzene, Mr 182.57, mp 81℃, is produced by the reaction of the diazonium salt derived from 2-chloro-4-nitroaniline with copper cyanide (Sandmeyer reaction). 4-Amino-2-chlorobenzonitrile can be obtained from 2-chloro-4-nitrobenzonitrile by reduction of the nitro group with iron (Bechamp method): it is used as an intermediate for the production of azo dyes.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.