Cas no 940-05-6 (2-bromo-1-(bromomethyl)-4-nitro-benzene)

2-Bromo-1-(bromomethyl)-4-nitro-benzene is a brominated aromatic compound featuring both bromomethyl and nitro functional groups, making it a versatile intermediate in organic synthesis. Its dual bromine substituents enhance reactivity in substitution and coupling reactions, while the nitro group facilitates further functionalization, such as reduction to amines or participation in nucleophilic aromatic substitution. This compound is particularly valuable in pharmaceutical and agrochemical research, where it serves as a precursor for constructing complex molecular frameworks. Its high purity and stability under standard conditions ensure reliable performance in synthetic applications. Careful handling is advised due to its potential reactivity as an alkylating agent.
2-bromo-1-(bromomethyl)-4-nitro-benzene structure
940-05-6 structure
Product Name:2-bromo-1-(bromomethyl)-4-nitro-benzene
CAS No:940-05-6
MF:C7H5Br2NO2
MW:294.928100347519
MDL:MFCD11100213
CID:797314
PubChem ID:14644718
Update Time:2025-06-06

2-bromo-1-(bromomethyl)-4-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-(bromomethyl)-4-nitrobenzene
    • Benzene,2-bromo-1-(bromomethyl)-4-nitro-
    • 2-Brom-4-nitro-benzylbromid
    • 2-bromo-4-nitrobenzyl bromide
    • 2-bromo-5-nitrobenzyl bromide
    • bromobromomethylnitrobenzene
    • Benzene, 2-bromo-1-(bromomethyl)-4-nitro-
    • NE43268
    • ST2416506
    • W9650
    • 2-Bromo-1-(bromomethyl)-4-nitrobenzene (ACI)
    • Toluene, α,2-dibromo-4-nitro- (7CI, 8CI)
    • 2-bromo-1-(bromomethyl)-4-nitro-benzene
    • MFCD11100213
    • J-508159
    • SCHEMBL3379806
    • CS-0029512
    • 940-05-6
    • EN300-45231
    • AKOS005072360
    • DTXSID30562545
    • SY045858
    • EC-0717
    • MDL: MFCD11100213
    • Inchi: 1S/C7H5Br2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
    • InChI Key: IHNSPLNYBYYNKQ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(Br)C(CBr)=CC=1)=O

Computed Properties

  • Exact Mass: 292.86900
  • Monoisotopic Mass: 292.86870g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 171
  • 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
  • Topological Polar Surface Area: 45.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3

Experimental Properties

  • Density: 2.006
  • Melting Point: 73-74°
  • Boiling Point: 348℃ at 760 mmHg
  • Flash Point: 164.3°C
  • Refractive Index: 1.642
  • PSA: 45.82000
  • LogP: 3.77540

2-bromo-1-(bromomethyl)-4-nitro-benzene Security Information

  • HazardClass:IRRITANT

2-bromo-1-(bromomethyl)-4-nitro-benzene Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-bromo-1-(bromomethyl)-4-nitro-benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-bromo-1-(bromomethyl)-4-nitro-benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  7 h, 80 °C → reflux
Reference
Versatile Synthesis of Isoquinolines and Isochromenes by Pd-Catalyzed Oxidative Carbonylation of (2-Alkynyl)benzylidene-amine Derivatives
Gabriele, Bartolo; Veltri, Lucia; Maltese, Vito; Spina, Rosella; Mancuso, Raffaella; et al, European Journal of Organic Chemistry, 2011, 2011(28), 5626-5635

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  overnight, 80 °C → reflux
Reference
Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease
Kaiser, Thomas M. ; Dentmon, Zackery W. ; Dalloul, Christopher E.; Sharma, Savita K.; Liotta, Dennis C., ACS Medicinal Chemistry Letters, 2020, 11(4), 491-496

Production Method 3

Reaction Conditions
1.1 Reagents: Benzil Solvents: Carbon tetrachloride
Reference
Synthesis of bromonitrobenzyl bromides
Gogolimska, Barbara; Gruda, Ilona, Acta Poloniae Pharmaceutica, 1963, 20(4), 345-6

Production Method 4

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  16 h, 78 °C
Reference
Preparation of 2-aminopyrimidine derivatives as kinase inhibitors and its application
, China, , ,

Production Method 5

Reaction Conditions
Reference
Preparation of aromatic sulfone, sulfonamide, and sulfonate compounds as aldosterone receptor (mineralocorticoid receptor) (MR) modulators
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
Reference
Inactivation of acetylcholinesterase with a bretylium tosylate photoaffinity probe
Branchini, Bruce R.; Lajiness, Evelyn J., Biochimica et Biophysica Acta, 1986, 884(1), 135-41

Production Method 7

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: 1,2-Dichloroethane ;  24 h, 65 °C
Reference
Enhancing Repair of Oxidative DNA Damage with Small-Molecule Activators of MTH1
Lee, Yujeong ; Onishi, Yoshiyuki; McPherson, Lisa; Kietrys, Anna M.; Hebenbrock, Marian; et al, ACS Chemical Biology, 2022, 17(8), 2074-2087

Production Method 8

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  overnight, rt → 80 °C
Reference
Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  20 °C; 12 h, 70 °C
Reference
Protein kinase AKT3 modulators and methods of use thereof for preventing and treating various diseases
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  5 - 6 h, reflux
Reference
Pd(II)-Catalyzed Non-Directed Benzylic C(sp3)-H Activation: Cascade C(sp3)-S Bond Cleavage to Access Benzaldehydes from Benzylphenyl Sulfides and Sulfoxides
Joshi, Asha; Iqbal, Zafar; Kandwal, Pankaj; De, Saroj Ranjan, Asian Journal of Organic Chemistry, 2022, 11(12),

Production Method 11

Reaction Conditions
1.1 Reagents: Benzoyl peroxide ,  N-Bromosuccinimide Solvents: Carbon tetrachloride ;  16 h, reflux; reflux → rt
Reference
Preparation of benzoxazepines, benzodiazepines, and benzazepines derivatives as agents for treating disorders involving modulation of ryanodine receptors
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
Reference
Preparation and formulation of alkylsulfonylbiphenyl and aminosulfonylbiphenyl derivatives as selective COX-2 inhibitors
, World Intellectual Property Organization, , ,

2-bromo-1-(bromomethyl)-4-nitro-benzene Raw materials

2-bromo-1-(bromomethyl)-4-nitro-benzene Preparation Products

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