1-Bromo-4-isopropylbenzene

HCID 11462CAS 586-61-8

기본 정보

표준 SMILES: CC(C)c1ccc(Br)cc1
InChIKey: MOZHUOIQYVYEPN-UHFFFAOYSA-N
분자식: C9H11Br
평균 분자량: 199.09 g/mol
단동위원소 질량: 198.00441245

이름 및 식별자

우선 이름: 1-Bromo-4-isopropylbenzene
IUPAC: 1-bromo-4-propan-2-ylbenzene
영어명: 4-Bromocumene
분자식: C9H11Br
분자량: 199.09

이름 및 동의어

1-Bromo-4-isopropylbenzene586-61-84-Bromoisopropylbenzenep-BromocumeneBenzene, 1-bromo-4-(1-methylethyl)-EINECS 209-577-5NSC 97223DTXSID7060411pBromocumene4BromocumeneCumene, pbromopBromoisopropylbenzene

이름 더 보기

4-BROMOCUMENEcumene,p-bromo-Cumene, p-bromo-4-Bromocumene >4-isopropylbroMide1-Bromo-4-isopropyL4-ISOPROPYLBROMOBENZENE

4Isopropylbromobenzene2(pBromophenyl)propane2(4Bromophenyl)propaneRefChem:75133Cumene, pbromo (8CI)Benzene, 1bromo4(1methylethyl)DTXCID2042438MOZHUOIQYVYEPN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 586-61-8
PubChem CID: 11462
DTXSID: DTXSID7060411
UNII: 3SYA3DG4GJ
EC Number: 209-577-5
Nikkaji: J94.990F

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 90.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.2 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -22 °C · -22 °C
끓는 점: 103 · 103-104 °C(lit.)
밀도: 1.286 g/mL · 1.286 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.537
인화점: 100 °C · >100°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물에 불용성
BRN: 1858096 · 1858096
InChI: InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKey: MOZHUOIQYVYEPN-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C(C)C)C=C1
NIST: 1 · Benzene, 1-bromo-4-(1-methylethyl)-(586-61-8)
EPA: p-Bromocumene (586-61-8)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See n-Propylbenzene.

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
HS 번호: 29039990
risk_code: 22-51/53
hazard_code: Xn,N,Xi
safety_code: 60
위험 등급: 9
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects