(2-chloro-5-fluorophenyl)methanamine

• ChemBase ID: 54697
• Molecular Formular: C7H7ClFN
• Molecular Mass: 159.5885832
• Monoisotopic Mass: 159.02510513
• SMILES: NCc1c(ccc(c1)F)Cl
• Canonical SMILES: NCc1cc(F)ccc1Cl
• InChI: InChI=1S/C7H7ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,4,10H2
• InChIKey: IGFBMQSUHFQVFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 202522-23-4
• EC Number: None
• MDL Number: MFCD06213626
• PubChem SID: 162059460
• PubChem CID: 17750669

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0697529
• LogD (pH = 7.4): 0.21330713
• Log P: 1.8457608
• Molar Refractivity: 39.5526 cm^3
• Polarizability: 15.246464 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Harmful/Air Sensitive/Store under Argon; IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• 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%