naphthalene-2-carbohydrazide

• ChemBase ID: 9934
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: C(=O)(c1cc2c(cc1)cccc2)NN
• Canonical SMILES: NNC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H10N2O/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,12H2,(H,13,14)
• InChIKey: RARLPRMZJNIQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-carbohydrazide
• IUPAC Traditional name: naphthalene-2-carbohydrazide
• Synonyms: 2-Naphthoylhydrazine; 2-Naphthoic hydrazide; 2-Naphthhydrazide; 2-naphthohydrazide; naphthalene-2-carbohydrazide; 2-萘甲肼

Database IDs

• CAS Number: 39627-84-4
• EC Number: 254-547-7
• MDL Number: MFCD00016810
• Beilstein Number: 1950982
• PubChem SID: 160973241
• PubChem CID: 123485

CALCULATED PROPERTIES

• Acid pKa: 14.471353
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5160185
• LogD (pH = 7.4): 1.5168762
• Log P: 1.5168872
• Molar Refractivity: 56.0707 cm^3
• Polarizability: 22.125666 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C; 145-149°C; 146-148°C
• Boiling Point: 302-304°C/725mm
• Hydrophobicity(logP): 1.439

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• 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%