2-hydroxybenzohydrazide

• ChemBase ID: 52451
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: C(=O)(c1c(cccc1)O)NN
• Canonical SMILES: NNC(=O)c1ccccc1O
• InChI: InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)
• InChIKey: XSXYESVZDBAKKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzohydrazide
• IUPAC Traditional name: benzoylhydrazine, O-hydroxy
• Synonyms: 2-Hydroxybenzhydrazide; 2-Hydroxybenzohydrazide; Salicylhydrazide; 2-Hydroxybenzenecarbohydrazide; 2-(Hydrazinocarbonyl)phenol; 2-Hydroxybenzoic acid hydrazide; 2-hydroxybenzohydrazide; Salicyl hydrazide; Salicyloyl hydrazide; 2-hydroxybenzene-1-carbohydrazide; SALICYL HYDRAZIDE; 2-Hydroxybenzoic hydrazide; 2-Hydroxybenzhydrazide; 2-羟基苯甲酰肼; 水杨酸酰肼; 水杨酰肼; 2-羟基苯甲酰肼

Database IDs

• CAS Number: 936-02-7
• EC Number: 213-311-3
• MDL Number: MFCD00007599
• Beilstein Number: 472355
• PubChem SID: 162057214; 24899654
• PubChem CID: 13637

CALCULATED PROPERTIES

• Acid pKa: 8.113841
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.87240666
• LogD (pH = 7.4): 0.7977104
• Log P: 0.8738451
• Molar Refractivity: 41.6014 cm^3
• Polarizability: 15.215739 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-149°C; 146-149°C; 147-150 °C(lit.); 147-150°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: VO3700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• 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%; 98+%
• Linear Formula: 2-(HO)C6H4CONHNH2

DETAILS

MP Biomedicals - 05217898

MP Biomedicals Rare Chemical collection