(3-nitrophenyl)hydrazine hydrochloride

• ChemBase ID: 89573
• Molecular Formular: C6H8ClN3O2
• Molecular Mass: 189.59962
• Monoisotopic Mass: 189.03050419
• SMILES: N(c1cc(ccc1)[N+](=O)[O-])N.Cl
• Canonical SMILES: NNc1cccc(c1)[N+](=O)[O-].Cl
• InChI: InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H
• InChIKey: BKOYKMLGFFASBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-nitrophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-nitrophenyl)hydrazine hydrochloride
• Synonyms: 3-Nitrophenylhydrazine hydrochloride; 3-Nitrophenylhydrazine hydrochloride; m-NITROPHENYLHYDRAZINE HYDROCHLORIDE; (3-nitrophenyl)hydrazine hydrochloride; 3-硝基苯肼 盐酸盐

Database IDs

• CAS Number: 636-95-3
• EC Number: 211-270-6
• MDL Number: MFCD00012939
• PubChem SID: 162076448; 24897354
• PubChem CID: 5464285

CALCULATED PROPERTIES

• Acid pKa: 18.233606
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2024298
• LogD (pH = 7.4): 1.3034203
• Log P: 1.3048726
• Molar Refractivity: 42.0852 cm^3
• Polarizability: 14.7923765 Å^3
• Polar Surface Area: 81.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C; 210 °C (dec.)(lit.); 210°C
• Hydrophobicity(logP): 1.656

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Linear Formula: O2NC6H4NHNH2 · HCl

DETAILS

MP Biomedicals - 05217078

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N21804

Packaging
5, 25 g in glass bottle