2-hydrazinylbenzoic acid hydrochloride

• ChemBase ID: 91812
• Molecular Formular: C7H9ClN2O2
• Molecular Mass: 188.61156
• Monoisotopic Mass: 188.03525522
• SMILES: N(c1c(cccc1)C(=O)O)N.Cl
• Canonical SMILES: NNc1ccccc1C(=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-hydrazinylbenzoic acid hydrochloride
• IUPAC Traditional name: 2-hydrazinylbenzoic acid hydrochloride
• Synonyms: o-CARBOXYPHENYL HYDRAZINE HYDROCHLORIDE; 2-Hydrazinobenzoic acid hydrochloride; 2-Hydrazinobenzoic acid hydrochloride; 2-hydrazinylbenzoic 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
• PubChem SID: 162078510; 24859436
• PubChem CID: 104169

CALCULATED PROPERTIES

• Acid pKa: 4.0236034
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.33180568
• LogD (pH = 7.4): -1.2260953
• Log P: 0.53214186
• Molar Refractivity: 43.0209 cm^3
• Polarizability: 15.239227 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C; 185 °C (dec.)(lit.); 185(dec.)°C
• Hydrophobicity(logP): 1.354

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Salt Data: HCl
• Linear Formula: H2NNHC6H4CO2H · HCl

DETAILS

MP Biomedicals - 05208540

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 324302

Packaging
25 g in poly bottle