Cas no 2114-36-5 ((1-Bromopropyl)benzene)

(1-Bromopropyl)benzene is an organobromine compound with the molecular formula C?H??Br, commonly used as an intermediate in organic synthesis. Its key advantages include its reactivity as an alkylating agent, making it valuable in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine substituent at the terminal position enhances its utility in nucleophilic substitution reactions, enabling efficient carbon-carbon and carbon-heteroatom bond formation. The compound exhibits good stability under standard storage conditions and is compatible with a range of solvents, facilitating its use in diverse synthetic applications. Its well-defined structure and consistent purity ensure reliable performance in research and industrial processes.
(1-Bromopropyl)benzene structure
(1-Bromopropyl)benzene structure
Product Name:(1-Bromopropyl)benzene
CAS No:2114-36-5
MF:C9H11Br
MW:199.087641954422
MDL:MFCD00055549
CID:1005667
PubChem ID:562384
Update Time:2025-10-29

(1-Bromopropyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromopropylbenzene
    • (1-BROMO-PROPYL)-BENZENE
    • 1-Bromo-1-phenylpropane
    • 4-bromopropylbenzene
    • phenylpropyl bromide
    • (alpha-Bromopropyl)benzene
    • 1-Phenyl-1-bromopropane
    • 1-Phenylpropyl bromide
    • alpha-Ethylbenzyl bromide
    • (1-Bromopropyl)benzene
    • XJSUFXFSUACKAT-UHFFFAOYSA-N
    • (bromopropyl)benzene
    • (1-Bromopropyl)-benzene
    • (1-Bromopropyl)benzene #
    • Benzene, (1-bromopropyl)-
    • (1-Bromopropargylidene)cyclohexane
    • SBB060201
    • NE11084
    • AM100503
    • ST51046431
    • SCHEMBL83018
    • DTXSID20340192
    • BS-13259
    • MFCD00055549
    • 2114-36-5
    • DB-309603
    • EN300-60130
    • CS-0037459
    • AKOS009308406
    • (1-Bromopropyl)benzene (1-Phenylpropyl Bromide)
    • J-500138
    • J-500139
    • F8889-4204
    • (1-Bromopropyl)benzene; (?-Bromopropyl)benzene; 1-Bromo-1-phenylpropane; 1-Phenyl-1-bromopropane; 1-Phenylpropyl bromide; ?-Ethylbenzyl bromide
    • (1-Bromopropyl)benzene; (a-Bromopropyl)benzene; 1-Bromo-1-phenylpropane; 1-Phenyl-1-bromopropane; 1-Phenylpropyl bromide; a-Ethylbenzyl bromide
    • A11640
    • MDL: MFCD00055549
    • Inchi: 1S/C9H11Br/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
    • InChI Key: XJSUFXFSUACKAT-UHFFFAOYSA-N
    • SMILES: BrC(C1C=CC=CC=1)CC

Computed Properties

  • Exact Mass: 198.00400
  • Monoisotopic Mass: 198.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 84.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.4824 g/cm3 (25 oC)
  • Melting Point: 88-89 oC
  • Boiling Point: 220-221 oC
  • Flash Point: 92.5±6.0 oC,
  • Refractive Index: 1.5670 (589.3 nm 25 oC)
  • Solubility: Almost insoluble (0.028 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 3.53260

(1-Bromopropyl)benzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

(1-Bromopropyl)benzene Pricemore >>

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