1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one

HCID 4191494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 893735-21-2
표준 SMILES: CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIKey: BJQZMUPNZWLRMA-UHFFFAOYSA-N
분자식: C13H9F3OS
평균 분자량: 270.27 g/mol

이름 및 식별자

우선 이름: 1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one
IUPAC: 1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone

이름 및 동의어

893735-21-21-{5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}ethan-1-one1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one1-(5-[4-(TRIFLUOROMETHYL)PHENYL]THIOPHEN-2-YL)ETHAN-1-ONERefChem:426122982-979-21-(5-(4-(trifluoromethyl)phenyl)thiophen-2-yl)ethanone1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone1-[5-[4-(trifluoromethyl)phenyl]-2-thienyl]ethanoneSCHEMBL219909MFCD06802019AKOS004117629

이름 더 보기

CCG-288173CS-0248703EN300-41078G240981-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)ethanone1-{5-[4-(Trifluoromethyl)phenyl]-2-thienyl}ethanonZ382789458

데이터베이스 식별자

CAS: 893735-21-2
PubChem CID: 4191494
EC Number: 982-979-2

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 308

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.