4-chlorobenzamide

• ChemBase ID: 79062
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: O=C(c1ccc(cc1)Cl)N
• Canonical SMILES: NC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
• InChIKey: BLNVISNJTIRAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorobenzamide
• IUPAC Traditional name: 4-chlorobenzamide
• Synonyms: 4-chlorobenzamide; 4-Chlorobenzamide; p-CHLOROBENZAMIDE; 4-氯苯甲酰胺

Database IDs

• CAS Number: 619-56-7
• EC Number: 210-601-1
• MDL Number: MFCD00007993
• Beilstein Number: 774622
• PubChem SID: 24892322; 162043825
• PubChem CID: 12084

CALCULATED PROPERTIES

• Acid pKa: 14.296142
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4279302
• LogD (pH = 7.4): 1.4279308
• Log P: 1.4279308
• Molar Refractivity: 39.9412 cm^3
• Polarizability: 15.057202 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-176 °C(lit.); 176-180°C

Safety Information

• RTECS: CV2443811
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 22-36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H319
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P305 + P351 + P338

Product Information

• Purity: 95+%; 98%; 98+%
• Linear Formula: ClC6H4CONH2

DETAILS

MP Biomedicals - 05206184

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C23802

Packaging
10 g in glass bottle