4-Chloro-5-fluoro-1,2-phenylenediamine

HCID 735773CAS 132942-81-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(F)c(Cl)cc1N
InChIKey: BSMPRJISGCTCDC-UHFFFAOYSA-N
분자식: C6H6ClFN2
평균 분자량: 160.58 g/mol
단동위원소 질량: 160.02035409

개요

structure in first source

이름 및 식별자

우선 이름: 4-Chloro-5-fluoro-1,2-phenylenediamine
IUPAC: 4-chloro-5-fluorobenzene-1,2-diamine
영어명: 4-Chloro-5-fluoro-o-phenylenediamine
분자식: C6H6ClFN2
분자량: 160.58

이름 및 동의어

4-Chloro-5-fluoro-1,2-phenylenediamineRefChem:5214524-chloro-5-fluorobenzene-1,2-diamine139512-70-24-chloro-5-fluoro-O-phenylenediamine1,2-Diamino-4-chloro-5-fluorobenzene1,2-Benzenediamine, 4-chloro-5-fluoro-4-Chloro-1,2-diamino-5-fluorobenzeneMFCD000424854-Chloro-5-Fluoro-1,2-Benzenediamine5-chloro-4-fluorobenzene-1,2-diamineSCHEMBL404239

이름 더 보기

BUTTPARK 44\03-90TIMTEC-BB SBB0039594-Chloro-5-Fluoro-o-Phenylendiamine4-Chloro-5-fluoro-1,2-diaminobenzene1-CHLORO-4,5-DIAMINO-2-FLUOROBENZENE

DTXSID70927876SBB0039594-Chloro-5-fluorobenzene-12-diamine4-chloro-5fluoro-1,2-diaminobenzeneAKOS006227965FC64359PS-87674-chloro-5-fluoro-benzene-1,2-diamine

데이터베이스 식별자

CAS: 132942-81-5、139512-70-2
PubChem CID: 735773
DTXSID: DTXSID70927876
EC Number: 679-081-5
Nikkaji: J1.524.448H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: 110 °C · 110°C
밀도: 1.3011 · 1.3011 (estimate)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.