2-chloro-3,4-dimethoxypyridine

• ChemBase ID: 51932
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: c1(c(c(ccn1)OC)OC)Cl
• Canonical SMILES: COc1c(OC)ccnc1Cl
• InChI: InChI=1S/C7H8ClNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
• InChIKey: USSXRSGDCHLUDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,4-dimethoxypyridine
• IUPAC Traditional name: 2-chloro-3,4-dimethoxypyridine
• Synonyms: 2-Chloro-3,4-dimethoxypyridine; 2-Chloro-3,4-dimethoxypyridine

Database IDs

• CAS Number: 101664-59-9
• MDL Number: MFCD03265283
• PubChem SID: 162056695
• PubChem CID: 13873112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2638255
• LogD (pH = 7.4): 1.2644448
• Log P: 1.2644527
• Molar Refractivity: 42.6936 cm^3
• Polarizability: 16.478472 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37-42°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%