1-Bromo-2,4,6-triisopropylbenzene

HCID 140846

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21524-34-5
표준 SMILES: CC(C)c1cc(C(C)C)c(Br)c(C(C)C)c1
InChIKey: FUMMYHVKFAHQST-UHFFFAOYSA-N
분자식: C15H23Br
평균 분자량: 283.25 g/mol
단동위원소 질량: 282.09831284

이름 및 식별자

우선 이름: 1-Bromo-2,4,6-triisopropylbenzene
IUPAC: 2-bromo-1,3,5-tri(propan-2-yl)benzene
영어명: 1-BROMO-2,4,6-TRIISOPROPYLBENZENE
분자식: C15H23Br
분자량: 283.25

이름 및 동의어

2-Bromo-1,3,5-triisopropylbenzene21524-34-51-Bromo-2,4,6-triisopropylbenzeneDTXSID80175861RefChem:430179DTXCID4098352807-580-12-bromo-1,3,5-tri(propan-2-yl)benzene2,4,6-Triisopropylbromobenzene2-BROMO-1,3,5-TRIS(PROPAN-2-YL)BENZENEMFCD000515472-bromo-1,3,5-triisopropyl-benzene

이름 더 보기

bromo-2,4,6-triisopropylbenzene1-Bromo-2,4,6-triisopropyL1,3,5-Triisopropyl-2-broMobenz2,4,6-Triisopropylphenyl bromide2-BroMo-1,3,5-triisopropylbenzen1-BroMo-2,4,6-tri-i-propylbenzene1,3,5-Triisopropyl-2-bromobenzene

Benzene, 2-bromo-1,3,5-tris(1-methylethyl)-2-Bromo-1,3,5-tris(1-methylethyl)benzeneSCHEMBL3396792,4,6 -triisopropylbromobenzeneFUMMYHVKFAHQST-UHFFFAOYSA-CS-D1723AKOS0091582172-Bromo-1,3,5-triisopropylbenzene #

데이터베이스 식별자

CAS: 21524-34-5
PubChem CID: 140846
DTXSID: DTXSID80175861
EC Number: 807-580-1
Nikkaji: J46.263B

물성

구조 계산 물성

XLogP: 6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 189

물리화학적 성질

끓는 점: 96 · 96-97 °C0.1 mm Hg(lit.)
밀도: 1.118 g/mL · 1.118 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.523(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
수용성: 물과 약간 섞임.
BRN: 1953440 · 1953440
InChI: InChI=1S/C15H23Br/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey: FUMMYHVKFAHQST-UHFFFAOYSA-N
SMILES: C1(C(C)C)=CC(C(C)C)=CC(C(C)C)=C1Br

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29039990
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도1-Bromo-2,4,6-triisopropylbenzene can be used in the synthesis of 1-fluoro-2,4,6-triisopropylbenzene, a fluorine-substituted aromatic building block for agrochemical synthesis and pharmaceutical production. It can also be used in the synthesis of di-2,4,6-triisopropylphenyl diselenide via reaction with metallic selenium in the presence of tertiary-butyl lithium.