Description

4-Bromoaniline (CAS No. 106-40-1) is a high-purity aromatic amine compound with the molecular formula C₆H₆BrN. This fine chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromine and amine functional groups. The compound appears as a white to light brown crystalline powder and should be stored in a cool, dry, and well-ventilated environment to ensure stability.

With a purity of ≥98%, our 4-Bromoaniline is rigorously tested via HPLC, GC, and NMR to meet the stringent requirements of researchers and industrial applications. It is soluble in organic solvents such as ethanol, ether, and acetone but exhibits limited solubility in water. Proper handling with PPE (gloves, goggles, lab coat) is recommended due to its potential toxicity and irritant properties.

This product is ideal for use as a versatile intermediate in Suzuki couplings, diazotization reactions, and the synthesis of dyes, agrochemicals, or bioactive molecules. Each batch is supplied with a comprehensive Certificate of Analysis (CoA) to guarantee traceability and compliance with industry standards.

Properties

• CAS Number: 106-40-1
• Complexity: 66.9
• IUPAC Name: 4-bromoaniline
• InChI: InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N
• LogP: log Kow = 2.26
• Exact Mass: 170.96836
• Molecular Formula: C6H6BrN
• Molecular Weight: 172.02
• SMILES: C1=CC(=CC=C1N)Br
• Topological: 26
• Monoisotopic Mass: 170.96836
• Physical Description: P-bromoaniline is a brown solid with a sweet odor.
• Color/Form: Bipyramidal rhombic crystals, needles from 60% alcohol
• Boiling Point: Decomposes
• Melting Point: 151.5 °F
• Solubility: less than 1 mg/mL at 73 °F
• Density: 1.497 at 212 °F – Denser than water; will sink
• Vapor Density: 5.9
• Vapor Pressure: 0.04 [mmHg]
• Dissociation Constants: pKa = 3.86 at 25 °C
• Synonyms: 4-Bromoaniline, P-BROMOANILINE, Benzenamine, 4-bromo-, 4-Bromo-aniline, 4-Bromanilinu, 4-Bromo-phenylamine, 4-Bromanilinu [Czech], CCRIS 4591, HSDB 2194, Aniline, p-bromo, NSC 7085, EINECS 203-393-9, UNII-0RR61TC330, BRN 0742031, DTXSID7021867, AI3-17277, ANILINE,4-BROMO, NSC-7085, BROMOANILINE, P-, P-BROMOANILINE [MI], 4-BROMOANILINE [HSDB], DTXCID301867, 4-12-00-01497 (Beilstein Handbook Reference), 4-BROMANILINU (CZECH), pBromoaniline, 4bromoaniline, 4Bromanilinu, pBromophenylamine, Aniline, pbromo, 4bromobenzenamine, para-bromoaniline, 4Bromobenzeneamine, Benzenamine, 4bromo, P-AMINOBROMOBENZENE, 4-BROMOANILINE (9CI), 1-AMINO-4-BROMOBENZENE, inchi=1/c6h6brn/c7-5-1-3-6(8)4-2-5/h1-4h,8h, un2811, wdfqboriuyodsi-uhfffaoysa-n, 106-40-1, 4-Bromobenzenamine, p-Bromophenylamine, Aniline, p-bromo-, 4-Bromobenzeneamine, 4-bromophenylamine, MFCD00007822, 4-Bromoaniline, 97%, 0RR61TC330, aniline, 4-bromo-, F2190-0431, p-bromo aniline, CAS-106-40-1, parabromoaniline, 4-brornoaniline, p-bromo-aniline, 4-bromo aniline, 4-aminobromobenzene, R4 4-bromoaniline, 4-bromo-phenyl-amine, (4-bromophenyl)-amine, SCHEMBL45481, MLS002454431, BIDD:GT0258, CHEMBL57376, SCHEMBL639661, SCHEMBL1651680, SCHEMBL2992585, SCHEMBL20722189, NSC7085, HMS3050B09, SMSSF-0338865, STR00728, Tox21_202459, Tox21_302910, SBB040491, STK286019, 4-Bromoaniline, >=99.0% (GC), 4-Bromoaniline, for synthesis, 98%, 4-Bromobenzenamine; p-bromophenylamine, AKOS000119091, PS-3352, NCGC00091730-01, NCGC00091730-02, NCGC00256346-01, NCGC00260008-01, AC-13468, SMR001252237, DB-023686, B1393, NS00021481, ST45255271, EN300-19060, D95300, AC-907/25014110, Q412773

Application

4-Bromoaniline serves as a key intermediate in the synthesis of pharmaceuticals, including antipsychotic and antimicrobial agents, via cross-coupling reactions. It is also employed in the production of azo dyes and liquid crystals for electronic displays. Researchers leverage its bromo-substituted aniline structure to construct complex heterocycles in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (94.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (90.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (17%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (20.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 3 (94.3%)
• Skin Irrit. 2 (90.6%)
• Eye Irrit. 2 (90.6%)
• Acute Tox. 4 (17%)
• STOT SE 3 (75.5%)
• STOT RE 2 (20.8%)

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