2-hydroxy-N-phenylbenzamide

• ChemBase ID: 129363
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: c1ccc(cc1)NC(=O)c1ccccc1O
• Canonical SMILES: O=C(c1ccccc1O)Nc1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)
• InChIKey: WKEDVNSFRWHDNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-phenylbenzamide
• IUPAC Traditional name: salicylanilide
• Synonyms: 2-Hydroxybenzanilide; Salicylanilide; 2-Hydroxy-N-phenylbenzamide; 2-Hydroxy-N-phenylbenzamide; N-Phenylsalicylamide; Salicylanilide; N-水杨酰苯胺; 2-羟基-N-苯基苯酰胺; 2-羟基苯酰替苯胺; N-苯基水杨酰胺; 水杨酰苯胺

Database IDs

• CAS Number: 87-17-2
• EC Number: 201-727-8
• MDL Number: MFCD00002212
• Beilstein Number: 1108135
• Merck Index: 148330
• PubChem SID: 24848034; 162223657
• PubChem CID: 6872
• Unique Ingredient Identifier: LHP8NEY345
• Wikipedia Title: Salicylanilide

CALCULATED PROPERTIES

• Acid pKa: 7.930028
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7599669
• LogD (pH = 7.4): 2.6502178
• Log P: 2.7615652
• Molar Refractivity: 63.5724 cm^3
• Polarizability: 23.541258 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White to off-white crystalline solid
• Melting Point: 136-138 °C; 136-138 °C(lit.); 136-138°C

Safety Information

• RTECS: VN7850000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26; 26-37; S36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95+%; 98%
• Salt Data: Free Base
• Linear Formula: 2-(HO)C6H4CONHC6H5

DETAILS

Sigma Aldrich - 131768

Packaging
100 g in poly bottle
500 g in glass bottle