4-hydrazinylbenzoic acid hydrochloride

• ChemBase ID: 75378
• Molecular Formular: C7H9ClN2O2
• Molecular Mass: 188.61156
• Monoisotopic Mass: 188.03525522
• SMILES: N(c1ccc(cc1)C(=O)O)N.Cl
• Canonical SMILES: NNc1ccc(cc1)C(=O)O.Cl
• InChI: InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
• InChIKey: XHLQMKQBCHYRLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylbenzoic acid hydrochloride
• IUPAC Traditional name: 4-hydrazinylbenzoic acid hydrochloride
• Synonyms: 4-Carboxyphenylhydrazine hydrochloride; 4-Hydrazinobenzoic acid hydrochloride; p-CARBOXYPHENYL HYDRAZINE HYDROCHLORIDE; 4-Hydrazinobenzoic acid hydrochloride; p-CARBOXYPHENYL HYDRAZINE HYDROCHLORIDE; 4-HYDRAZINOBENZOIC ACID; 4-肼基苯甲酸 盐酸盐; 4-羧基苯肼盐酸盐

Database IDs

• CAS Number: 24589-77-3
• EC Number: 246-330-0
• MDL Number: MFCD00039073
• PubChem SID: 162040296; 24866983
• PubChem CID: 90547

CALCULATED PROPERTIES

• Acid pKa: 4.3872323
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.09178551
• LogD (pH = 7.4): -1.6480011
• Log P: 0.050391994
• Molar Refractivity: 43.0209 cm^3
• Polarizability: 15.237115 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252-254°C dec.; 253 °C (dec.)(lit.); 253(dec)°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DH1700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: H2NNHC6H4CO2H · HCl

DETAILS

MP Biomedicals - 05223306

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151283

Hydrochloride

Sigma Aldrich - 433829

Packaging
25 g in glass bottle