1-Bromo-3,5-di-tert-butylbenzene

HCID 620136CAS 22385-77-9

기본 정보

표준 SMILES: CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1
InChIKey: BUOWTUULDKULFI-UHFFFAOYSA-N
분자식: C14H21Br
평균 분자량: 269.22 g/mol
단동위원소 질량: 268.08266277

이름 및 식별자

우선 이름: 1-Bromo-3,5-di-tert-butylbenzene
IUPAC: 1-bromo-3,5-ditert-butylbenzene
영어명: 3,5-Di-tert-butylbromobenzene
분자식: C14H21Br
분자량: 269.22

이름 및 동의어

1-Bromo-3,5-di-tert-butylbenzene22385-77-9DTXSID00347326EC 607-060-2RefChem:430341DTXCID90298398607-060-23,5-Di-tert-butylbromobenzene1-Bromo-3,5-di-t-butylbenzene3,5-di-t-butylbromobenzene1-Bromo-3,5-ditert-butylbenzeneMFCD00796945

이름 더 보기

TIMTEC-BB SBB0059013,5- Di TERTbutylbenzene1-Bromo-3,5-di-tert-butyL3,5-Di-tert-butylbromobenze1-BroMo-3,5-di-tert-butybenzene1,3-Di-tert-butyl-5-bromobenzene

Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-3,5-di-t-butyl-bromobenzenebromo-3,5-di-t-butylbenzeneSY2920511,5-bis(tert-butyl)-3-bromobenzeneA48101-bromo-3,5-SCHEMBL190968

데이터베이스 식별자

CAS: 22385-77-9
PubChem CID: 620136
DTXSID: DTXSID00347326
EC Number: 607-060-2
Nikkaji: J46.239J

물성

구조 계산 물성

XLogP: 6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 62 · 62-66 °C(lit.)
끓는 점: 152 · 152-156 °C(Press: 26 Torr)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 35 μg/L · 35μg/L at 25℃
BRN: 2091559 · 2091559
InChI: InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
InChIKey: BUOWTUULDKULFI-UHFFFAOYSA-N
SMILES: C1(Br)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
LogP: 6.7 at · 6.7 at 25℃

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.