(3-Bromopropyl)benzene (HCID 12503)

Namen und Bezeichner

Bevorzugter Name: (3-Bromopropyl)benzene
IUPAC: 3-bromopropylbenzene
Lokaler Name: (3-Brompropyl)benzol
Englischer Name: 1-Bromo-3-phenylpropane
Summenformel: C9H11Br
Molmasse: 199.09

Namen und Synonyme

(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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 74,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesDensity

LogP3.72

Vapor Pressure0.06 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -10 °C · -10°C (estimate)
Siedepunkt: 237 · 237-238 °C (lit.)
Dichte: 1.31 g/mL · 1.31 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.546(lit.)
Flammpunkt: 215 °F · 215 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Liquid
Wichte: 1.31 · 1.31
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: INSOLUBLE
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
CAS Datenbank: 637 · 637-59-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Bromo-3-phenylpropane(637-59-2)
EPA chemische Informationen: (3-Bromopropyl)benzene (637-59-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 · 1 Eintrag

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%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden1-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.