2-클로로-4-니트로벤조니트릴

2-Chloro-4-nitrobenzonitrile

HCID 141401CAS 28163-00-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1ccc([N+](=O)[O-])cc1Cl
InChIKey: ZIGQFRQZYVQQDR-UHFFFAOYSA-N
분자식: C7H3ClN2O2
평균 분자량: 182.56 g/mol
단동위원소 질량: 181.98830502

이름 및 식별자

우선 이름: 2-Chloro-4-nitrobenzonitrile
IUPAC: 2-chloro-4-nitrobenzonitrile
현지명: 2-클로로-4-니트로벤조니트릴
영어명: 2-Chloro-4-nitrobenzonitrile
분자식: C7H3ClN2O2
분자량: 182.56

이름 및 동의어

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

이름 더 보기

2-클로로-4-니트로벤조니트릴2-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 83 · 83-84 °C
끓는 점: 337 · 337.0±27.0 °C(Predicted)
밀도: 1.6133 · 1.6133 (rough estimate)
굴절률: 1.5557 · 1.5557 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green

화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.