2-chlorobenzamide

• ChemBase ID: 52312
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: C(=O)(c1c(cccc1)Cl)N
• Canonical SMILES: NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
• InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorobenzamide
• IUPAC Traditional name: 2-chlorobenzamide
• Synonyms: 2-Chlorobenzamide; o-CHLOROBENZAMIDE; 2-Chlorobenzamide; 2-氯苯甲酰胺

Database IDs

• CAS Number: 609-66-5
• EC Number: 210-195-6
• MDL Number: MFCD00007973
• Beilstein Number: 508510
• PubChem SID: 24852937; 162057075
• PubChem CID: 69111

CALCULATED PROPERTIES

• Acid pKa: 13.151168
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4279306
• LogD (pH = 7.4): 1.4279314
• Log P: 1.4279308
• Molar Refractivity: 39.9412 cm^3
• Polarizability: 15.070634 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-144°C; 142-144 °C(lit.); 142-144°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: CV2443737
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22; 22-36/37/38
• Safety Statements: 26-36/37; 36
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H330; H330-H302-H315-H319-H335
• GHS Precautionary statements: P260-P284-P310; P260-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: ClC6H4CONH2

DETAILS

MP Biomedicals - 05224102

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 216062

Packaging
25 g in poly bottle