2,4-difluoro-alpha-(1H-1,2,4-triazol-1-yl)acetophenone hydrochloride

HCID 13059699CAS 86386-75-6

기본 정보

표준 SMILES: Cl.O=C(Cn1cncn1)c1ccc(F)cc1F
InChIKey: PYSWMBQNJXRJJR-UHFFFAOYSA-N
분자식: C10H8ClF2N3O
평균 분자량: 259.64 g/mol
단동위원소 질량: 259.032396

이름 및 식별자

우선 이름: 2,4-difluoro-alpha-(1H-1,2,4-triazol-1-yl)acetophenone hydrochloride
IUPAC: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone;hydrochloride
영어명: 2,4''-Difluor-2-(1H-1,2,4-triazool-1-yl)acetofenonhydrochloride
분자식: C10H8ClF2N3O
분자량: 259.64

이름 및 동의어

86386-75-62,4-Difluoro-alpha-(1H-1,2,4-triazol-1-yl)acetophenone hydrochlorideEC 412-390-3RefChem:443564412-390-31-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-Ethanone monohydrochloride5E4T4ELC2XSCHEMBL9862424DTXSID2013350461-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hydrochloride2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)-acetophenone hydrochloride2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone hydrochloride

이름 더 보기

2,4''-Difluor-2-(1H-1,2,4-triazool-1-yl)acetofenonhydrochloride2,4-difluoro-α-(1H-1,2,4-triazol-1-yl)acetophenone hydrochloride

1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-ethanone hydrochloride (1:1)1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one--hydrogen chloride (1/1)Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, hydrochloride (1:1)

데이터베이스 식별자

CAS: 86386-75-6
PubChem CID: 13059699
DTXSID: DTXSID201335046
UNII: 5E4T4ELC2X
EC Number: 412-390-3

물성

구조 계산 물성

극성 표면적: 47.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 264

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

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

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)