4-chloro-2,6-dimethylpyrimidine

• ChemBase ID: 16785
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(cc(nc(n1)C)Cl)C
• Canonical SMILES: Cc1cc(Cl)nc(n1)C
• InChI: InChI=1S/C6H7ClN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
• InChIKey: GSXFOGXQLRLSKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6-dimethylpyrimidine
• IUPAC Traditional name: 4-chloro-2,6-dimethylpyrimidine
• Synonyms: 4-Chloro-2,6-dimethylpyrimidine; 4-chloro-2,6-dimethylpyrimidine; 4-Chloro-2,6-dimethyl-pyrimidine; 4-氯-2,6-二甲基嘧啶

Database IDs

• CAS Number: 32314-39-9; 4472-45-1
• MDL Number: MFCD00234197
• PubChem SID: 160980092
• PubChem CID: 3154199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6109602
• LogD (pH = 7.4): 1.6130122
• Log P: 1.6130384
• Molar Refractivity: 37.8043 cm^3
• Polarizability: 14.023643 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.437

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 95+%; 97%; 98%