Cas no 94416-66-7 (4-(bromomethyl)-1,2-dimethylbenzene)

4-(bromomethyl)-1,2-dimethylbenzene structure
94416-66-7 structure
Product Name:4-(bromomethyl)-1,2-dimethylbenzene
CAS No:94416-66-7
MF:C9H11Br
MW:199.087641954422
MDL:MFCD06136695
CID:803768
PubChem ID:13199190
Update Time:2025-04-19

4-(bromomethyl)-1,2-dimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dimethylbenzyl bromide
    • 4-(bromomethyl)-1,2-dimethylBenzene
    • Benzene,4-(bromomethyl)-1,2-dimethyl-
    • 3,4-Dimethylbenzylbromide
    • AKOS009941556
    • ISFQLPGWXMGYKM-UHFFFAOYSA-N
    • DTXSID70526808
    • 4-bromomethyl-1,2-dimethyl-benzene
    • SY067380
    • SCHEMBL539541
    • A21308
    • Benzene, 4-(bromomethyl)-1,2-dimethyl-
    • 94416-66-7
    • 3 pound not4-Dimethylbenzyl bromide
    • AM83115
    • EN300-1231948
    • CS-W021802
    • AS-18622
    • MFCD06136695
    • 4-(bromomethyl)-1,2-dimethylbenzene
    • MDL: MFCD06136695
    • Inchi: 1S/C9H11Br/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
    • InChI Key: ISFQLPGWXMGYKM-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC(C)=C(C)C=1

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: 1
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.314±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 237.4±9.0 oC (760 Torr),
  • Flash Point: 103.2±11.8 oC,
  • Solubility: Almost insoluble (0.019 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 3.19830

4-(bromomethyl)-1,2-dimethylbenzene 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%

4-(bromomethyl)-1,2-dimethylbenzene Pricemore >>

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4-(bromomethyl)-1,2-dimethylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Benzoic acid ,  tert-Butyl hydroperoxide ,  Copper bromide (CuBr) Solvents: tert-Butanol ,  1,2,4-Trimethylbenzene ;  5 h, 80 °C
1.2 Reagents: Sodium thiosulfate Solvents: Dichloromethane
Reference
Effective synthesis of benzyl halides triggered by in situ prepared hypervalent halides
Ling, Xue-Ge; Xiong, Yan; Zhang, Shu-Ting; Huang, Ruo-Feng; Zhang, Xiao-Hui, Chinese Chemical Letters, 2013, 24(1), 45-48

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