(2-chloro-6-methylphenyl)methanamine

• ChemBase ID: 302235
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: Cc1cccc(c1CN)Cl
• Canonical SMILES: NCc1c(C)cccc1Cl
• InChI: InChI=1S/C8H10ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,5,10H2,1H3
• InChIKey: WPQIAYXZZULKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-methylphenyl)methanamine
• IUPAC Traditional name: (2-chloro-6-methylphenyl)methanamine
• Synonyms: 2-Chloro-6-methylbenzylamine; 2-氯-6-甲基苄胺

Database IDs

• CAS Number: 57264-46-7
• EC Number: 000-000-0
• MDL Number: MFCD00052810
• Beilstein Number: 2828602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.73596054
• LogD (pH = 7.4): 0.41324997
• Log P: 2.2164803
• Molar Refractivity: 44.3774 cm^3
• Polarizability: 17.321808 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-112°C/15mm
• Refractive Index: 1.5590

Safety Information

• Storage Warning: Air Sensitive
• 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: 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%