2-(2-carboxyphenyl)hydrazinium chloride

• ChemBase ID: 302221
• Molecular Formular: C7H9ClN2O2
• Molecular Mass: 188.61156
• Monoisotopic Mass: 188.03525522
• SMILES: c1ccc(c(c1)C(=O)O)N[NH3+].[Cl-]
• Canonical SMILES: [NH3+]Nc1ccccc1C(=O)O.[Cl-]
• InChI: InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
• InChIKey: ZGNNOFKURIXXRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-carboxyphenyl)hydrazinium chloride
• IUPAC Traditional name: 2-(2-carboxyphenyl)hydrazinium chloride
• Synonyms: 2-Hydrazinobenzoic acid hydrochloride; 2-肼基 苯甲酸 盐酸盐

Database IDs

• CAS Number: 52356-01-1
• EC Number: 257-869-6
• MDL Number: MFCD00012931
• Beilstein Number: 4011728

CALCULATED PROPERTIES

• Log P: 0.53214186
• Molar Refractivity: 53.2517 cm^3
• Polarizability: 15.278576 Å^3
• Polar Surface Area: 76.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 4.0236034
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.33180568
• LogD (pH = 7.4): -1.2260953

PROPERTIES

Physical Property

• Melting Point: ca 181-183°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 97%