1,2-diphenylhydrazine

• ChemBase ID: 107338
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: N(Nc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)NNc1ccccc1
• InChI: InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
• InChIKey: YBQZXXMEJHZYMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diphenylhydrazine
• IUPAC Traditional name: hydrazobenzene
• Synonyms: sym-DIPHENYLHYDRAZINE PRACTICAL GRADE; N,N′-Bianiline; NSC 3510; N,N′-Diphenylhydrazine; Hydrazobenzene; 1,2-Diphenylhydrazine; 1,2-diphenylhydrazine; 1,2-二苯肼; 氢化偶氮苯; 苯肼

Database IDs

• CAS Number: 122-66-7
• EC Number: 204-563-5
• MDL Number: MFCD00003012
• Beilstein Number: 639793
• PubChem SID: 24847740; 162093375
• PubChem CID: 31222

CALCULATED PROPERTIES

• Acid pKa: 19.220526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7635672
• LogD (pH = 7.4): 3.7635672
• Log P: 3.7635672
• Molar Refractivity: 60.9612 cm^3
• Polarizability: 22.2403 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-126°C; 123-126 °C(lit.)
• Hydrophobicity(logP): 2.97

Safety Information

• RTECS: MW2625000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 45-22-50/53; R:22-45-50/53
• Safety Statements: 53-45-60-61; S:45-53-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H350-H410; H350-H400-H410-H302
• GHS Precautionary statements: P201-P273-P308 + P313-P501; P281-P273-P301+P312-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95%; tech. 90%, remainder mainly azobenzene
• Grade: PRACTICAL
• Linear Formula: C6H5NHNHC6H5

DETAILS

MP Biomedicals - 05203369

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126721

Other Notes
Contains varying amounts of azobenzene
Packaging
25 g in glass bottle
Application
Reactant involved in:
• Insertion reactions with organometallic tantalum complexes1
• Reduction reactions catalyzed by titanium(III) trichloride yielding amines2
• Studying the mechanism of hydrazobenzene rearrangement3
• Reaction with N-heterocyclic stable silylene4
• Synthesis of dimanganese amide hydrazide cluster complexes5
• Iron-mediated hydrazine reductions yielding iron arylimide cubanes6