Cas no 40385-54-4 (2-bromo-4-methyl-1-nitro-benzene)

2-Bromo-4-methyl-1-nitro-benzene (CAS: 7748-34-9) is a halogenated aromatic compound featuring a bromo and nitro substituent on a methyl-substituted benzene ring. This yellow crystalline solid exhibits high purity (>98%) and stability under standard conditions, making it suitable for diverse synthetic applications. As a versatile intermediate, it serves as a key building block in pharmaceutical synthesis, particularly for developing active pharmaceutical ingredients (APIs) and agrochemicals. The electron-withdrawing nitro group and bromine atom enable selective substitution reactions, facilitating further functionalization via cross-coupling or nucleophilic aromatic substitution. Its well-defined structure and reactivity profile support precise molecular design in medicinal chemistry and materials science research. The compound's melting point (74-78°C) and solubility in organic solvents ensure convenient handling in laboratory settings.
2-bromo-4-methyl-1-nitro-benzene structure
40385-54-4 structure
Product Name:2-bromo-4-methyl-1-nitro-benzene
CAS No:40385-54-4
MF:C7H6BrNO2
MW:216.032041072845
MDL:MFCD00234267
CID:841911
PubChem ID:8167038
Update Time:2025-07-02

2-bromo-4-methyl-1-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-methyl-1-nitrobenzene
    • 3-Bromo-4-nitrotoluene
    • Benzene, 2-bromo-4-methyl-1-nitro-
    • 2-bromo-4-methyl-1-nitro-benzene
    • AC-907/25004621
    • DTXSID10429086
    • MFCD00234267
    • DA-26836
    • AKOS005266439
    • 3-bromo-4-nitro-toluene
    • AS-19865
    • CL8897
    • EN300-98916
    • 40385-54-4
    • SCHEMBL2970916
    • JXNZCXHQQAUHBJ-UHFFFAOYSA-N
    • SY103787
    • CS-0099379
    • MDL： MFCD00234267
    • Inchi： 1S/C7H6BrNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
    • InChI Key： JXNZCXHQQAUHBJ-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C)C=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 214.95819g/mol
  • Monoisotopic Mass: 214.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 157
  • 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: 2.8
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • Density: 1.6841 (rough estimate)
  • Melting Point: 37.8°C
  • Boiling Point: 269°C (rough estimate)
  • Refractive Index: 1.6120 (estimate)

2-bromo-4-methyl-1-nitro-benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Fluorochem
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 ￡34.00 2022-03-01
Fluorochem
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 ￡84.00 2022-03-01
Fluorochem
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Chemenu
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 40385-54-4 95+%
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 $338 2021-06-16
TRC
B750165-500mg
3-Bromo-4-nitrotoluene
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 $ 75.00 2023-04-18
TRC
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 $ 90.00 2022-06-06
TRC
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