(3-bromophenyl)methanamine

• ChemBase ID: 70225
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: NCc1cc(ccc1)Br
• Canonical SMILES: NCc1cccc(c1)Br
• InChI: InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
• InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)methanamine
• IUPAC Traditional name: (3-bromophenyl)methanamine
• Synonyms: 3-Bromobenzylamine; (3-Bromophenyl)methylamine; 3-Bromobenzylamine; 3-溴苯甲胺

Database IDs

• CAS Number: 10269-01-9
• MDL Number: MFCD01026119
• PubChem SID: 162035948
• PubChem CID: 457587

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1110437
• LogD (pH = 7.4): -0.10544862
• Log P: 1.8677669
• Molar Refractivity: 42.1542 cm^3
• Polarizability: 16.429428 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Air Sensitive/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95+%; 97%