(2,6-dichlorophenyl)methanamine

• ChemBase ID: 10690
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1(CN)c(cccc1Cl)Cl
• Canonical SMILES: NCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C7H7Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
• InChIKey: VLVLNNQMURDGPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dichlorophenyl)methanamine
• IUPAC Traditional name: (2,6-dichlorophenyl)methanamine
• Synonyms: 2,6-Dichlorobenzylamine; (2,6-Dichlorophenyl)methylamine; 2,6-Dichlorobenzylamine; 2,6-二氯苄胺

Database IDs

• CAS Number: 6575-27-5
• MDL Number: MFCD00047928
• PubChem SID: 160973997
• PubChem CID: 485432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5804471
• LogD (pH = 7.4): 0.77558076
• Log P: 2.3071036
• Molar Refractivity: 44.141 cm^3
• Polarizability: 17.444738 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40°C
• Boiling Point: 108°C/ 8mm

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Air Sensitive/Store under Argon
• 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: 97%; 97+%