3-플루오로페닐아세틸염화물

2-(3-Fluorophenyl)acetyl chloride

HCID 12751635

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 458-04-8
표준 SMILES: O=C(Cl)Cc1cccc(F)c1
InChIKey: SKOMBKMLOHIBTF-UHFFFAOYSA-N
분자식: C8H6ClFO
평균 분자량: 172.58 g/mol
단동위원소 질량: 172.00912071

이름 및 식별자

우선 이름: 2-(3-Fluorophenyl)acetyl chloride
IUPAC: 2-(3-fluorophenyl)acetyl chloride
현지명: 3-플루오로페닐아세틸염화물
영어명: 3-Fluorophenylacetyl chloride
분자식: C8H6ClFO
분자량: 172.58

이름 및 동의어

2-(3-fluorophenyl)acetyl chlorideRefChem:455568676-331-53-Fluorophenylacetyl chloride458-04-83-Fluorophenylacetylchloride(3-fluorophenyl)acetyl chlorideBenzeneacetyl chloride,3-fluoro-MFCD07787556(3-fluorophenyl)-acetyl chlorideBenzeneacetyl chloride, 3-fluoro-3-Fluorobenzeneacetyl chloride

이름 더 보기

3-플루오로페닐아세틸염화물3-Fluorophenylace...Between fluorobenzene chloride3-Fluorophenylacetyl chloride 97+%Acetylchloride, (m-fluorophenyl)- (8CI)

SCHEMBL1149255(3-fluorophenyl) acetyl chlorideDTXSID70508907SKOMBKMLOHIBTF-UHFFFAOYSA-N2-(3-Fluorophenyl)ethanoyl chlorideSBB088714AKOS000732795PS-10934

데이터베이스 식별자

CAS: 458-04-8
PubChem CID: 12751635
DTXSID: DTXSID70508907
EC Number: 676-331-5

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 217.2 · 217.2±23.0 °C(Predicted)
밀도: 1.278 · 1.278±0.06 g/cm3(Predicted)
물리적 상태: 액체
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.