5-chloro-2-hydroxy-N-phenylbenzamide

• ChemBase ID: 107124
• Molecular Formular: C13H10ClNO2
• Molecular Mass: 247.677
• Monoisotopic Mass: 247.04000625
• SMILES: Oc1ccc(Cl)cc1C(=O)Nc1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)C(=O)Nc1ccccc1)O
• InChI: InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
• InChIKey: KGYNGVVNFRUOOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydroxy-N-phenylbenzamide
• IUPAC Traditional name: 5-chlorosalicylanilide
• Synonyms: 5-CHLOROSALICYLANILIDE; 5-Chlorosalicylanilide; 5-氯水杨酰苯胺

Database IDs

• CAS Number: 4638-48-6
• EC Number: 225-065-4
• MDL Number: MFCD00002320
• PubChem SID: 24854520; 162093160
• PubChem CID: 14869

CALCULATED PROPERTIES

• Acid pKa: 7.393004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3601322
• LogD (pH = 7.4): 3.0644786
• Log P: 3.36561
• Molar Refractivity: 68.3772 cm^3
• Polarizability: 25.408566 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210-212 °C(lit.)

Safety Information

• RTECS: CV2450475
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: ClC6H3(OH)CONHC6H5

DETAILS

MP Biomedicals - 05202657

MP Biomedicals Rare Chemical collection