3-hydroxynaphthalene-2-carbohydrazide

• ChemBase ID: 25817
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(cc2c(cc1O)cccc2)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)
• InChIKey: FDNAQCWUERCJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxynaphthalene-2-carbohydrazide
• IUPAC Traditional name: 3-hydroxynaphthalene-2-carbohydrazide
• Synonyms: 3-Hydroxy-2-naphthydrazide; 3-Hydroxy-2-naphthoic hydrazide; 3-Hydroxy-2-naphthoic acid hydrazide; 3-Hydroxy-2-naphthohydrazide; β-HYDROXYNAPHTHOIC HYDRAZIDE; 3-羟基-2-萘甲酰肼; 3-羟基-2-萘酸肼

Database IDs

• CAS Number: 5341-58-2
• EC Number: 226-282-7
• MDL Number: MFCD00004097
• Beilstein Number: 395153
• PubChem SID: 24879821; 160989124; 24895652
• PubChem CID: 72699

CALCULATED PROPERTIES

• Acid pKa: 7.88571
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8611723
• LogD (pH = 7.4): 1.7415756
• Log P: 1.8633219
• Molar Refractivity: 58.0516 cm^3
• Polarizability: 22.696657 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205-208 °C; 205-208 °C(lit.); ca 205°C dec.

Safety Information

• Storage Warning: IRRITANT
• 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 Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; 97%; 98%
• Linear Formula: HOC10H6CONHNH2

DETAILS

MP Biomedicals - 05213634

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 55940

Packaging
25 g in glass bottle