(3-Bromopropyl)benzene (HCID 12503)

이름 및 식별자

우선 이름: (3-Bromopropyl)benzene
IUPAC: 3-bromopropylbenzene
영어명: 1-Bromo-3-phenylpropane
분자식: C9H11Br
분자량: 199.09

이름 및 동의어

(3-Bromopropyl)benzene1-BROMO-3-PHENYLPROPANE3-Phenylpropyl bromide3-bromopropylbenzene3-Bromo-1-phenylpropaneBenzene, (3-bromopropyl)-1-Phenyl-3-bromopropane(gamma-Bromopropyl)benzene(.gamma.-Bromopropyl)benzeneUNII-6VX623QN9VNSC 1334386VX623QN9V

이름 더 보기

3-Phenyl-1-bromopropane(3-Bromopropyl)benzene~3-Phenylpropyl bromide1-Bromo-3-phenyLTIMTEC-BB SBB0088351-Bromo-3-phenylpropHydrocinnamyl bromideG-PHENYLPROPYL BROMIDE

.GAMMA.-BROMOPROPYL)BENZENEEINECS 211-294-7NSC-133438.gamma.-Phenylpropyl bromideDTXSID1060924EC 211-294-73Bromo1phenylpropane3phenylpropyl bromide

데이터베이스 식별자

CAS: 637-59-2
PubChem CID: 12503
DTXSID: DTXSID1060924
ChEMBL: CHEMBL4203225
UNII: 6VX623QN9V
EC Number: 211-294-7
Nikkaji: J144.046B

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 74.8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesDensity

LogP3.72

Vapor Pressure0.06 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -10 °C · -10°C (estimate)
끓는 점: 237 · 237-238 °C (lit.)
밀도: 1.31 g/mL · 1.31 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.546(lit.)
인화점: 215 °F · 215 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
Specific Gravity: 1.31 · 1.31
색상: 무색투명~연황색
수용성: 불용성
BRN: 2205527 · 2205527
InChI: 1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey: XMZQWZJMTBCUFT-UHFFFAOYSA-N
SMILES: BrCCCc1ccccc1
NIST: 1 · 1-Bromo-3-phenylpropane(637-59-2)
EPA: (3-Bromopropyl)benzene (637-59-2)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (52.6%): 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 76 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10186

3-Phenylpropyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

A skin and strong eye irritant; Harmful by ingestion; May cause allergic reactions in sensitive individuals; [Sigma-Aldrich MSDS] Search for (637-59-2[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See (2-Bromoethyl)benzene and Benzyl bromide.

Hazard Classes and CategoriesAcute Tox. 4 (52.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2810
HS 번호: 29036990
risk_code: 22-36/38-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, (3-bromopropyl)-: ACTIVE

응용 분야

용도1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors.