2,4-dichlorobenzamide

• ChemBase ID: 86157
• Molecular Formular: C7H5Cl2NO
• Molecular Mass: 190.0267
• Monoisotopic Mass: 188.97481915
• SMILES: Clc1c(ccc(c1)Cl)C(=O)N
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=O)N
• InChI: InChI=1S/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
• InChIKey: XXFUNTSOBHSMBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorobenzamide
• IUPAC Traditional name: 2,4-dichlorobenzamide
• Synonyms: 2,4-Dichlorobenzamide 98%; 2,4-Dichlorobenzamide; 2,4-Dichlorobenzamide; 2,4-二氯苯甲酰胺

Database IDs

• CAS Number: 2447-79-2
• EC Number: 219-505-4
• MDL Number: MFCD00007974
• Beilstein Number: 2328193
• PubChem SID: 162073273
• PubChem CID: 75556

CALCULATED PROPERTIES

• Acid pKa: 12.953485
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0319753
• LogD (pH = 7.4): 2.0319765
• Log P: 2.0319755
• Molar Refractivity: 44.746 cm^3
• Polarizability: 17.016623 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-194°C; 191-194 °C(lit.); 192-195°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 95+%; 98%
• Linear Formula: Cl2C6H3CONH2