Description

1-Bromo-3-nitrobenzene (CAS No. 585-79-5) is a high-purity aromatic compound with the molecular formula C₆H₄BrNO₂. This yellow crystalline solid is widely utilized in organic synthesis, pharmaceuticals, and material science due to its reactive bromo and nitro functional groups. With a molecular weight of 202.01 g/mol, it is an essential intermediate for cross-coupling reactions, such as Suzuki and Heck reactions, enabling the construction of complex molecular architectures. Our product is rigorously tested for purity (>98%) and consistency, ensuring optimal performance in research and industrial applications. Proper storage in a cool, dry place away from light and moisture is recommended to maintain stability.

Properties

• CAS Number: 585-79-5
• Complexity: 134
• IUPAC Name: 1-bromo-3-nitro-benzene
• InChI: InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
• InChI Key: FWIROFMBWVMWLB-UHFFFAOYSA-N
• Exact Mass: 200.94254
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 202.01
• SMILES: C1=CC(=CC(=C1)Br)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 200.94254
• Physical Description: Light yellow or tan solid;
• Vapor Pressure: 0.07 [mmHg]
• Synonyms: 1-Bromo-3-nitrobenzene, 3-Bromonitrobenzene, 585-79-5, M-BROMONITROBENZENE, Benzene, 1-bromo-3-nitro-, 3-Nitrobromobenzene, m-Nitrobromobenzene, NSC 7084, CCRIS 3114, EINECS 209-563-9, AI3-09054, DTXSID3060409, mBromonitrobenzene, mNitrobromobenzene, 3Nitrobromobenzene, 1Bromo3nitrobenzene, Benzene, 1bromo3nitro, DTXCID0042404, 209-563-9, inchi=1/c6h4brno2/c7-5-2-1-3-6(4-5)8(9)10/h1-4, 1-bromo-3-nitro-benzene, 3-bromo-1-nitrobenzene, meta-bromonitrobenzene, 3-nitro-1-bromobenzene, MFCD00024298, 61878-56-6, 3-bromo-nitrobenzene, 1-Bromo 3-nitrobenzene, 1-Nitro-3-bromobenzene, 4-Bromo-2-nitrobenzene, SCHEMBL85551, ghl.PD_Mitscher_leg0.921, SCHEMBL1473759, SCHEMBL2131010, SCHEMBL5771776, SCHEMBL6310965, 1-Bromo-3-nitrobenzene (unstable at 56 C) [Forbidden], 1-Bromo-3-nitrobenzene, 97%, NSC7084, BCP18660, NSC-7084, STR07175, m-Nitrobromobenzene, liquid or solid, AC-183, SBB063141, STK286023, AKOS000121518, PS-5118, 3-Bromonitrobenzene; m-Bromonitrobenzene, NCGC00340597-01, DB-022387, 1-Bromo-3-nitrobenzene (unstable at 56 C), B0623, NS00033965, ST50406626, EN300-21080, A24686, E78995, AB01333606-02, Q63392976, F0001-1528, Z104489138, m-Nitrobromobenzene, liquid or solid [UN2732] [Keep away from food], m-Nitrobromobenzene;1-bromo-3-nitro-benzen;1-Nitro-3-brombenzen;1-Nitro-3-bromobenzene;3-Bromo-1-nitrobenzene

Application

1-Bromo-3-nitrobenzene serves as a versatile building block in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions to form biaryl compounds. It is employed in pharmaceutical research for the development of active pharmaceutical ingredients (APIs) and agrochemical intermediates. Additionally, its nitro group facilitates further functionalization, making it valuable in dye and polymer chemistry. Researchers also utilize it as a precursor in the synthesis of liquid crystals and electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (93.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, 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 (18.4%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (93.9%)
• Eye Irrit. 2A (93.9%)
• Acute Tox. 4 (16.3%)
• STOT SE 3 (91.8%)
• STOT RE 2 (10.2%)

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