2-bromoaniline

• ChemBase ID: 91843
• Molecular Formular: C6H6BrN
• Molecular Mass: 172.02254
• Monoisotopic Mass: 170.9683612
• SMILES: Nc1c(cccc1)Br
• Canonical SMILES: Nc1ccccc1Br
• InChI: InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
• InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoaniline
• IUPAC Traditional name: O-bromoaniline
• Synonyms: 2-Bromoaniline 99%; 2-Bromoaniline; 2-Bromoaniline; o-BROMOANILINE; 2-溴苯胺

Database IDs

• CAS Number: 615-36-1
• EC Number: 210-421-3
• MDL Number: MFCD00007632
• Beilstein Number: 742062
• PubChem SID: 24849961; 24891847; 24849959; 162078541
• PubChem CID: 11992

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9109975
• LogD (pH = 7.4): 1.9130464
• Log P: 1.9130725
• Molar Refractivity: 38.3812 cm^3
• Polarizability: 14.268352 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 24-28 °C(lit.); 27-31°C; 28-30 °C; 29-31°C
• Boiling Point: 228-230°C; 229 °C(lit.); 229°C
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F
• Density: 1.52 g/mL at 25 °C(lit.); 1.578

Safety Information

• Storage Warning: Toxic/Irritant/Air Sensitive/Light Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Toxic (T); X
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22-33-36/38; 24/25-33-52/53
• Safety Statements: 26-28-36/37; 36/37-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H373; H311-H302-H332-H315-H319-H373
• GHS Precautionary statements: P280H-P305+P351+P338-P302+P352-P309-P310; P280-P312
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); ≥98.0% (GC); 95+%; 97%; 98%
• Grade: purum; technical
• Linear Formula: BrC6H4NH2

DETAILS

MP Biomedicals - 05207380

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B56420

Packaging
5, 25 g in glass bottle