Description

4-Bromo-2-methyl-6-nitroaniline (CAS No. 77811-44-0) is a high-purity, nitro-substituted aniline derivative with the molecular formula C₇H₇BrN₂O₂. This aromatic compound features a bromo group at the 4-position, a methyl group at the 2-position, and a nitro group at the 6-position, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its crystalline form ensures consistent reactivity, ideal for coupling reactions, electrophilic substitutions, and heterocyclic compound synthesis. Suitable for HPLC, GC-MS, and NMR analysis, this product is rigorously tested to meet ≥98% purity standards. Packaged under inert conditions to ensure stability, it is an essential reagent for researchers developing agrochemicals, dyes, and bioactive molecules.

Properties

• CAS Number: 77811-44-0
• Complexity: 183
• IUPAC Name: 4-bromo-2-methyl-6-nitro-aniline
• InChI: InChI=1S/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
• InChI Key: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
• Exact Mass: 229.96909
• Molecular Formula: C7H7BrN2O2
• Molecular Weight: 231.05
• SMILES: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br
• Topological: 71.8
• Monoisotopic Mass: 229.96909
• Synonyms: 4-Bromo-2-methyl-6-nitroaniline, 77811-44-0, 4-bromo-2-methyl-6-nitrobenzenamine, DTXSID50335036, DTXCID00286125, 616-508-6, 4-Bromo-2-methyl-6-nitro-phenylamine, 2-Amino-5-bromo-3-nitrotoluene, Benzenamine, 4-bromo-2-methyl-6-nitro-, MFCD00052919, 4-bromo-6-nitro-o-toluidine, 4-bromo-2-methyl-6-nitrophenylamine, 4-bromo-2-methyl-6-nitro-aniline, 2-Nitro-4-bromo-6-methylaniline, SCHEMBL153660, 4-bromo-6-methyl-2-nitroaniline, BCP08514, CS-M1979, 4-bromo-6-methyl-2-nitrophenylamine, GEO-00501, SBB064130, STL497394, AKOS005071333, AC-3719, SB11755, 4-Bromo-2-methyl-6-nitroaniline, 97%, BP-10231, SY018595, DB-014436, B3730, NS00127385, ST50307884, EN300-41031, M04061, 9T-0039, AN-584/43496265, Z415658618

Application

4-Bromo-2-methyl-6-nitroaniline serves as a key intermediate in the synthesis of complex organic compounds, particularly in pharmaceutical and agrochemical research. Its reactive nitro and bromo groups enable participation in palladium-catalyzed cross-coupling reactions, such as Suzuki or Buchwald-Hartwig reactions. This compound is also utilized in the development of azo dyes and pigments due to its aromatic amine structure. Researchers leverage its properties for constructing heterocyclic frameworks in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (17%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (89.4%)
• Eye Irrit. 2 (89.4%)
• Acute Tox. 4 (100%)
• STOT SE 3 (87.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.