CAS 112611-87-7 4-Bromo-2-fluoro-1-(1-methylethyl)benzene (HCID 21051092)

기본 정보

CAS: 112611-87-7
표준 SMILES: CC(C)c1ccc(Br)cc1F
InChIKey: PAYWIMMOVUPBHF-UHFFFAOYSA-N
분자식: C9H10BrF
평균 분자량: 217.08 g/mol
단동위원소 질량: 215.99499

이름 및 식별자

우선 이름: 4-Bromo-2-fluoro-1-(1-methylethyl)benzene
IUPAC: 4-bromo-2-fluoro-1-propan-2-ylbenzene
영어명: 4-bromo-2-fluoro-1-isopropylbenzene
분자식: C9H10BrF
분자량: 217.08

이름 및 동의어

112611-87-74-Bromo-2-fluoro-1-(propan-2-yl)benzeneDTXSID2012705154-Bromo-2-fluoro-1-(1-methylethyl)benzeneRefChem:519660DTXCID201701116843-566-14-bromo-2-fluoro-1-isopropylbenzeneMFCD20482704Benzene, 4-bromo-2-fluoro-1-(1-methylethyl)-4-bromo-2-fluoro-1-propan-2-ylbenzeneSCHEMBL2550576

이름 더 보기

SCHEMBL27889504SCHEMBL30169618PAYWIMMOVUPBHF-UHFFFAOYSA-NMEA611871-bromo-3-fluoro-4-i-propylbenzeneGS26114-bromo-2-fluoro-1-isopropyl-benzeneSY469377

데이터베이스 식별자

CAS: 112611-87-7
PubChem CID: 21051092
DTXSID: DTXSID201270515
EC Number: 843-566-1

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, 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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.