5-클로로-2-플루오로벤조일클로라이드

5-Chloro-2-fluorobenzoyl chloride

HCID 2773604CAS 394-29-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1cc(Cl)ccc1F
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
분자식: C7H3Cl2FO
평균 분자량: 193 g/mol
단동위원소 질량: 191.9544983

이름 및 식별자

우선 이름: 5-Chloro-2-fluorobenzoyl chloride
IUPAC: 5-chloro-2-fluorobenzoyl chloride
현지명: 5-클로로-2-플루오로벤조일클로라이드
영어명: 5-Chloro-2-fluorobenzoyl chloride
분자식: C7H3Cl2FO
분자량: 193

이름 및 동의어

5-Chloro-2-fluorobenzoyl chloride394-29-6DTXSID70378586RefChem:102304DTXCID10329613623-605-72-fluoro-5-chlorobenzoyl chlorideMFCD016314335-Chloro-2-fluoro-benzoyl chloride5-chloro-2-fluorobenzoylchlorideBenzoyl chloride, 5-chloro-2-fluoro-Z2D3PLQ39T

이름 더 보기

5-클로로-2-플루오로벤조일클로라이드SKL1303BUTTPARK 45\01-10Chlorofluorobenzoylchloride 52---5-Chloro-2-fluorobenzoyl chloride 97%5-Chloro-2-fluorobenzoyl chloride, 97+%

SCHEMBL284068SCHEMBL303495843-chloro-6-fluorobenzoyl chlorideVWGAATKTEAKOCO-UHFFFAOYSA-NSBB069730AKOS0052544065-Chloro-2-fluorobenzoyl chloride, 97%PS-10779

데이터베이스 식별자

CAS: 394-29-6
PubChem CID: 2773604
DTXSID: DTXSID70378586
UNII: Z2D3PLQ39T
EC Number: 623-605-7

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

끓는 점: 217 · 217-218 °C(lit.)
밀도: 1.459 g/mL · 1.459 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5545(lit.)
인화점: 230 °F · >230 °F
물리적 상태: fused / liquid solid
색상: 옅은 노랑
BRN: 3247304 · 3247304
InChI: 1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
SMILES: Fc1ccc(Cl)cc1C(Cl)=O

화학적 성질

Colorless Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.