N-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 295350
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: CC(=O)Nc1c(cccc1Cl)Cl
• Canonical SMILES: CC(=O)Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H7Cl2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)
• InChIKey: DWVWVSLAIJHBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2,6-dichloroacetanilide
• Synonyms: 2',6'-Dichloroacetanilide; 2',6'-二氯乙酰苯胺

Database IDs

• CAS Number: 17700-54-8
• EC Number: 241-706-0
• MDL Number: MFCD00013629
• Beilstein Number: 2096165
• PubChem SID: 180680881
• PubChem CID: 28698

CALCULATED PROPERTIES

• Acid pKa: 11.858024
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4190454
• LogD (pH = 7.4): 2.4190311
• Log P: 2.4190454
• Molar Refractivity: 50.5306 cm^3
• Polarizability: 19.035889 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-181°C

Safety Information

• RTECS: AE1970000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%