(4-bromo-2-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 11847
• Molecular Formular: C7H8BrClFN
• Molecular Mass: 240.5005232
• Monoisotopic Mass: 238.95126716
• SMILES: c1c(cc(c(c1)CN)F)Br.Cl
• Canonical SMILES: NCc1ccc(cc1F)Br.Cl
• InChI: InChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
• InChIKey: RTQOFJWBJNVJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-fluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-bromo-2-fluorophenyl)methanamine hydrochloride
• Synonyms: 4-Bromo-2-fluorobenzylamine hydrochloride; (4-Bromo-2-fluorophenyl)methylamine hydrochloride; 4-Bromo-2-fluorobenzylamine hydrochloride 98%; (4-bromo-2-fluorophenyl)methanamine hydrochloride; 4-Bromo-2-fluorobenzylamine hydrochloride; 4-溴-2-氟苄胺 盐酸盐

Database IDs

• CAS Number: 147181-08-6
• MDL Number: MFCD00143266
• Beilstein Number: 6938847
• PubChem SID: 160975154
• PubChem CID: 18468197

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8872388
• LogD (pH = 7.4): 0.44434863
• Log P: 2.0104687
• Molar Refractivity: 42.3706 cm^3
• Polarizability: 16.249374 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C; 254-257°C; 254-257°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%