CAS 954123-46-7 3-Bromo-5-(trifluoromethyl)benzyl bromide (HCID 22324272)

기본 정보

CAS: 954123-46-7
표준 SMILES: FC(F)(F)c1cc(Br)cc(CBr)c1
InChIKey: CRKZDDPRUZNPKL-UHFFFAOYSA-N
분자식: C8H5Br2F3
평균 분자량: 317.93 g/mol
단동위원소 질량: 315.87101

이름 및 식별자

우선 이름: 3-Bromo-5-(trifluoromethyl)benzyl bromide
IUPAC: 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
현지명: 1-브로모-3-(브로모메틸)-5-(트리플루오로메틸)벤젠
영어명: 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
분자식: C8H5Br2F3
분자량: 317.93

이름 및 동의어

3-Bromo-5-(trifluoromethyl)benzyl bromideRefChem:498829816-694-0954123-46-71-BROMO-3-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)BENZENEMFCD11044989SCHEMBL3591051Benzene, 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)-SCHEMBL29738521DTXSID10624791CK2011AKOS015995561

이름 더 보기

1-브로모-3-(브로모메틸)-5-(트리플루오로메틸)벤젠

AS-45845DA-16611SY018541EN300-2435196F097721

데이터베이스 식별자

CAS: 954123-46-7
PubChem CID: 22324272
DTXSID: DTXSID10624791
EC Number: 816-694-0
Nikkaji: J3.446.155D

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 169

물리화학적 성질

끓는 점: 241 ℃ · 241℃
밀도: 1.885 · 1.885
인화점: 100 ℃ · 100℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.