2-클로로-4-플루오로벤조일클로라이드

2-Chloro-4-fluorobenzoyl chloride

HCID 2736546

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21900-54-9
표준 SMILES: O=C(Cl)c1ccc(F)cc1Cl
InChIKey: POIAZJJVWRVLBO-UHFFFAOYSA-N
분자식: C7H3Cl2FO
평균 분자량: 193 g/mol
단동위원소 질량: 191.9544983

이름 및 식별자

우선 이름: 2-Chloro-4-fluorobenzoyl chloride
IUPAC: 2-chloro-4-fluorobenzoyl chloride
현지명: 2-클로로-4-플루오로벤조일클로라이드
영어명: 2-Chloro-4-fluorobenzoyl chloride
분자식: C7H3Cl2FO
분자량: 193

이름 및 동의어

2-Chloro-4-fluorobenzoyl chloride21900-54-9DTXSID90371433RefChem:258755DTXCID10322467623-229-32-chloro-4-fluorobenzoylchloride2-chloro-4-fluoro-benzoyl chlorideBenzoyl chloride,2-chloro-4-fluoro-2-chloro-4-fluorobenzene-1-carbonyl chlorideMFCD00084954BENZOYL CHLORIDE, 2-CHLORO-4-FLUORO-

이름 더 보기

2-클로로-4-플루오로벤조일클로라이드2-Chloro-4-FluorobenzoylChloro2-Chloro-4-fluorobenzoylchloride98%2-Chloro-4-fluorobenzoyl Chloride >2-Chloro-4-fluorobenzoyl chloride 98%Benzoyl chloride, 2-chloro-4-fluoro- (8CI,9CI)

SCHEMBL1063412chloro-4-fluorobenzoyl chloride4-fluoro-2-chlorobenzoyl chloride2-cloro-4-fluoro-benzoyl chloride2-chloro -4-fluorobenzoyl chlorideSBB067906AKOS0091584812-Chloro-4-fluorobenzoyl chloride, 97%

데이터베이스 식별자

CAS: 21900-54-9
PubChem CID: 2736546
DTXSID: DTXSID90371433
EC Number: 623-229-3

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 16 °C · 16 °C
끓는 점: 98 · 98-102 °C (15 mmHg)
밀도: 1.447 g/mL · 1.447 g/mL at 25 °C
굴절률: 1.549 · 1.549-1.551
인화점: 82 · 82-84°C/15mm
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
BRN: 2254071 · 2254071
InChI: InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
InChIKey: POIAZJJVWRVLBO-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=C(F)C=C1Cl

화학적 성질

Clear pale yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.