(5-chloro-2-fluorophenyl)methanamine

• ChemBase ID: 7160
• Molecular Formular: C7H7ClFN
• Molecular Mass: 159.5885832
• Monoisotopic Mass: 159.02510513
• SMILES: c1(ccc(c(c1)CN)F)Cl
• Canonical SMILES: NCc1cc(Cl)ccc1F
• InChI: InChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
• InChIKey: BFLBLJKULFDOTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-2-fluorophenyl)methanamine
• IUPAC Traditional name: (5-chloro-2-fluorophenyl)methanamine
• Synonyms: 5-Chloro-2-fluorobenzylamine; 2-Fluoro-5-chlorobenzyl amine; (5-Chloro-2-fluorophenyl)methylamine; 5-Chloro-2-fluorobenzylamine; 5-氯-2-氟苄胺

Database IDs

• CAS Number: 261723-26-6
• EC Number: 000-000-0
• MDL Number: MFCD01631440
• PubChem SID: 160970467
• PubChem CID: 2773616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0302093
• LogD (pH = 7.4): 0.35129613
• Log P: 1.8457608
• Molar Refractivity: 39.5526 cm^3
• Polarizability: 15.24256 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.536; 1.5360

Safety Information

• Storage Warning: Air Sensitive; CORROSIVE; Corrosive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• 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: 97%