2-(4-(Trifluoromethyl)phenyl)acetyl chloride

HCID 14810943

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74426-51-0
표준 SMILES: O=C(Cl)Cc1ccc(C(F)(F)F)cc1
InChIKey: MLMKUFMLPHQPFO-UHFFFAOYSA-N
분자식: C9H6ClF3O
평균 분자량: 222.59 g/mol
단동위원소 질량: 222.005927

이름 및 식별자

우선 이름: 2-(4-(Trifluoromethyl)phenyl)acetyl chloride
IUPAC: 2-[4-(trifluoromethyl)phenyl]acetyl chloride
영어명: 4-(TRIFLUOROMETHYL)PHENYLACETYL CHLORID
분자식: C9H6ClF3O
분자량: 222.59

이름 및 동의어

2-[4-(trifluoromethyl)phenyl]acetyl chloride2-(4-(Trifluoromethyl)phenyl)acetyl chlorideRefChem:456606829-034-174426-51-04-(Trifluoromethyl)phenylacetyl chlorideBenzeneacetyl chloride, 4-(trifluoromethyl)-MFCD08458136[4-(Trifluoromethyl)phenyl]acetyl chlorideSCHEMBL558914DTXSID30564286ZCA42651

이름 더 보기

4-(TRIFLUOROMETHYL)PHENYLACETYL CHLORID4-(Trifluoromethyl)phenylacetylchloride95%4-(2-Chloro-2-oxoethyl)benzotrifluoride, 4-[(Chlorocarbonyl)methyl]benzotrifluoride

SBB0963664-trifluoromethylphenylacetyl chloride4-trifluoromethylphenyl acetyl chlorideAKOS0113947104-trifluoromethyl-phenyl acetyl chloride(4-trifluoromethylphenyl)-acetyl chloridePS-10924SY204704

데이터베이스 식별자

CAS: 74426-51-0
PubChem CID: 14810943
DTXSID: DTXSID30564286
EC Number: 829-034-1
Nikkaji: J2.015.750J

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

물리화학적 성질

끓는 점: 230.6 · 230.6±40.0 °C(Predicted)
밀도: 1.355 · 1.355±0.06 g/cm3(Predicted)
물리적 상태: 액체
색상: 옅은 노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.