(2-nitrophenyl)hydrazine

• ChemBase ID: 79299
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: [N+](=O)(c1c(cccc1)NN)[O-]
• Canonical SMILES: NNc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2
• InChIKey: FRBUNLLUASHNDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-nitrophenyl)hydrazine
• IUPAC Traditional name: 2-nitrophenylhydrazine
• Synonyms: 1-(2-Nitrophenyl)hydrazine; 2-Nitrophenylhydrazine; o-NITROPHENYLHYDRAZINE; 2-Nitrophenylhydrazine; (2-Nitrophenyl)hydrazine; 2-硝基苯肼

Database IDs

• CAS Number: 3034-19-3
• EC Number: 221-222-6
• MDL Number: MFCD00007577
• Beilstein Number: 512797
• PubChem SID: 24897353; 162044062
• PubChem CID: 3314739

CALCULATED PROPERTIES

• Acid pKa: 13.937985
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8925923
• LogD (pH = 7.4): 1.9540302
• Log P: 1.9548726
• Molar Refractivity: 42.0852 cm^3
• Polarizability: 14.794445 Å^3
• Polar Surface Area: 81.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-93 °C(lit.)

Safety Information

• Storage Condition: 2-8°C, Protect from light
• RTECS: MV8210000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-22-36/37/38
• Safety Statements: 7-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 1325 4.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%
• Contains: 30% water as stabilizer (minimum)
• Linear Formula: O2NC6H4NHNH2

DETAILS

MP Biomedicals - 02155916

(2-Nitrophenylhydrazine) Crystalline

Sigma Aldrich - N21588

Packaging
10 g in glass bottle