(diphenylmethylidene)hydrazine

• ChemBase ID: 108741
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: N/N=C(/c1ccccc1)\c1ccccc1
• Canonical SMILES: N/N=C(/c1ccccc1)\c1ccccc1
• InChI: InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
• InChIKey: QYCSNMDOZNUZIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylmethylidene)hydrazine
• IUPAC Traditional name: (diphenylmethylidene)hydrazine
• Synonyms: BENZOPHENONEHYDRAZONE; Diphenyldiazomethane precursor; Benzophenone hydrazone; (Diphenylmethylene)hydrazine; 二苯基重氮甲烷前体; 二苯甲酮腙

Database IDs

• CAS Number: 5350-57-2
• EC Number: 226-321-8
• MDL Number: MFCD00007624
• Beilstein Number: 1910177
• PubChem SID: 24892146; 162095607
• PubChem CID: 79304

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1361833
• LogD (pH = 7.4): 3.1486237
• Log P: 3.1487846
• Molar Refractivity: 63.1747 cm^3
• Polarizability: 23.95541 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-98 °C(lit.); 96-100°C
• Boiling Point: 225-230 °C/55 mmHg(lit.); 225-230°C/55mm
• Flash Point: 146°C(294°F)
• Density: 1.1

Safety Information

• RTECS: PC4954487
• European Hazard Symbols: Nature polluting (N); Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-43-51/53; R:36/37/38
• Safety Statements: 24-37-45-61; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H317-H411-H401
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 96%; 98+%
• Linear Formula: (C6H5)2C=NNH2

DETAILS

MP Biomedicals - 05208561

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B9602

Packaging
100, 500 g in poly bottle

REFERENCES

• Oxidation with e.g. HgO: Org. Synth. Coll., 3, 351 (1955), peracetic acid and tetramethylguanidine: J. Chem. Soc., Perkin 1, 2030 (1975), iodosobenzene diacetate: Synthesis, 513 (1985) or potassium monopersulfate: Tetrahedron Lett., 38, 1239 (1997), gives diphenyldiazomethane, a reagent for the protection of carboxylic acids by conversion to their benzhydryl esters. The protecting group can be cleaved by hydrogenolysis: Helv. Chim. Acta, 31, 439 (1938), or mild acid: J. Am. Chem. Soc., 87, 3969, 5469 (1965). See Appendix 6.