(E,E)-bis(phenylmethylidene)hydrazine

• ChemBase ID: 8798
• Molecular Formular: C14H12N2
• Molecular Mass: 208.25848
• Monoisotopic Mass: 208.10004839
• SMILES: N(=C\c1ccccc1)/N=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=N/N=C/c1ccccc1
• InChI: InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
• InChIKey: CWLGEPSKQDNHIO-JOBJLJCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E,E)-bis(phenylmethylidene)hydrazine; bis(phenylmethylidene)hydrazine
• IUPAC Traditional name: benzalazine; bis(phenylmethylidene)hydrazine
• Synonyms: 1-Benzaldehyde Azine; 2-(Phenylmethylene)hydrazone Benzaldehyde; 1,4-Diphenyl-2,3-diaza-1,3-butadiene; 1,4-Diphenylformalazine; Benzaldazin; Benzaldazine; Benzylideneazine; Dibenzalhydrazine; Dibenzylidenehydrazine; Eusolex 6653; NSC 3269; N,N'-Dibenzalhydrazine; Benzalazine; trans,trans-Benzaldehyde azine; BENZALAZINE; Benzaldehyde azine; 苯甲醛吖嗪

Database IDs

• CAS Number: 588-68-1; 28867-76-7
• EC Number: 209-627-6
• MDL Number: MFCD00016876
• Beilstein Number: 2208840
• PubChem SID: 160972105
• PubChem CID: 5324610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4402583
• LogD (pH = 7.4): 3.4402583
• Log P: 3.4402583
• Molar Refractivity: 67.7982 cm^3
• Polarizability: 25.091228 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 91-93°C; 91-95°C; 92-93 °C(lit.); 92-94°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT, IRRITANT-HARMFUL
• RTECS: CU7571500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 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

Product Information

• Purity: 99%
• Linear Formula: C6H5CH=NN=CHC6H5

DETAILS

Toronto Research Chemicals - B183745

Intermediate used in the synthesis of a variety of antibacterial and antifungal activities of symmetric and asymmetric azines.

REFERENCES

• Veena, K., et al.: E-J.Chem, 8, 354 (2011)