2-chloro-6-methylpyridine-3-carbonyl chloride

• ChemBase ID: 296083
• Molecular Formular: C7H5Cl2NO
• Molecular Mass: 190.0267
• Monoisotopic Mass: 188.97481915
• SMILES: Cc1ccc(c(n1)Cl)C(=O)Cl
• Canonical SMILES: Cc1ccc(c(n1)Cl)C(=O)Cl
• InChI: InChI=1S/C7H5Cl2NO/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3
• InChIKey: ZDWXDEDBIUIQMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridine-3-carbonyl chloride
• IUPAC Traditional name: 2-chloro-6-methylpyridine-3-carbonyl chloride
• Synonyms: 2-Chloro-6-methylpyridine-3-carbonyl chloride; 2-Chloro-6-methylnicotinoyl chloride; 2-氯-6-甲基烟酰氯

Database IDs

• CAS Number: 39853-81-1
• EC Number: 000-000-0
• MDL Number: MFCD09953461
• PubChem SID: 180681614
• PubChem CID: 21273637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9020725
• LogD (pH = 7.4): 1.9020779
• Log P: 1.9020779
• Molar Refractivity: 45.4734 cm^3
• Polarizability: 16.992395 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5715

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• 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%