2-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazole

HCID 62377373

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1285420-82-7
표준 SMILES: Fc1ccc2nc(CCl)n(-c3ccccc3)c2c1
InChIKey: DPYHXGSQKNVYKG-UHFFFAOYSA-N
분자식: C14H10ClFN2
평균 분자량: 260.69 g/mol

이름 및 식별자

우선 이름: 2-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazole
IUPAC: 2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole

이름 및 동의어

1285420-82-72-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazoleRefChem:460314853-291-92-Chloromethyl-6-fluoro-1-phenyl-1H-benzoimidazole2-(chloromethyl)-6-fluoro-1-phenylbenzimidazoleSCHEMBL11900840DPYHXGSQKNVYKG-UHFFFAOYSA-NAKOS011663728EN300-252264402-(Chloromethyl)-6-fluoro-1-phenyl-1H-benzo[d]imidazole

데이터베이스 식별자

CAS: 1285420-82-7
PubChem CID: 62377373
EC Number: 853-291-9

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 283

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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