4-chloro-2-methylpyridine hydrochloride

• ChemBase ID: 295953
• Molecular Formular: C6H7Cl2N
• Molecular Mass: 164.03248
• Monoisotopic Mass: 162.99555459
• SMILES: Cc1cc(ccn1)Cl.Cl
• Canonical SMILES: Clc1ccnc(c1)C.Cl
• InChI: InChI=1S/C6H6ClN.ClH/c1-5-4-6(7)2-3-8-5;/h2-4H,1H3;1H
• InChIKey: GEFCQVXTSKQUPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylpyridine hydrochloride
• IUPAC Traditional name: 4-chloro-2-methylpyridine hydrochloride
• Synonyms: 4-Chloro-2-picoline hydrochloride; 4-Chloro-2-methylpyridine hydrochloride; 4-氯-2-甲基吡啶 盐酸盐

Database IDs

• CAS Number: 41753-34-8
• MDL Number: MFCD03092889
• PubChem SID: 180681484
• PubChem CID: 2762841

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.427557
• LogD (pH = 7.4): 1.4901243
• Log P: 1.4909883
• Molar Refractivity: 33.2974 cm^3
• Polarizability: 13.064321 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 210°C dec.

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%