2-chloro-N,N-dimethylbenzamide

• ChemBase ID: 301091
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: CN(C)C(=O)c1ccccc1Cl
• Canonical SMILES: CN(C(=O)c1ccccc1Cl)C
• InChI: InChI=1S/C9H10ClNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
• InChIKey: SZUQPOLAEFBJJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-chloro-N,N-dimethylbenzamide
• Synonyms: 2-Chloro-N,N-dimethylbenzamide

Database IDs

• CAS Number: 6526-67-6
• MDL Number: MFCD00463636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8752829
• LogD (pH = 7.4): 1.8752829
• Log P: 1.8752829
• Molar Refractivity: 49.7346 cm^3
• Polarizability: 18.735708 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 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: 97%