2-hydroxy-4-methoxybenzohydrazide

• ChemBase ID: 40369
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: c1(c(cc(cc1)OC)O)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1O)OC
• InChI: InChI=1S/C8H10N2O3/c1-13-5-2-3-6(7(11)4-5)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
• InChIKey: VMRCVWCZLIPZLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methoxybenzohydrazide
• IUPAC Traditional name: 2-hydroxy-4-methoxybenzohydrazide
• Synonyms: 2-Hydroxy-4-methoxybenzenecarbohydrazide; 2-Hydroxy-4-methoxybenzoic acid hydrazide; 2-羟基-4-甲氧基苯甲酰肼

Database IDs

• CAS Number: 41697-08-9
• MDL Number: MFCD06797386
• PubChem SID: 162045132; 24878342
• PubChem CID: 2763464

CALCULATED PROPERTIES

• Acid pKa: 8.026513
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.7144784
• LogD (pH = 7.4): 0.6248314
• Log P: 0.7161738
• Molar Refractivity: 48.0646 cm^3
• Polarizability: 17.763172 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-176 °C(lit.); 173 - 175 °C; 173-175°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• 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: >95%; 97%
• Empirical Formula (Hill Notation): C8H10N2O3