(E)-diphenyldiazene

• ChemBase ID: 107776
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: c1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
• InChIKey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-diphenyldiazene; diphenyldiazene
• IUPAC Traditional name: azobenzene; diazobenzene
• Synonyms: 1,2-Diphenyldiazene; A 15073; Azobenzide; Azobenzol; Azobisbenzene; Benzeneazobenzene; Diphenyldiazene; Diphenyldiimide; NSC 2102; Phenylazobenzene; Azobenzene; Azobenzene; AZOBENZENE; diphenyldiazene; 偶氮苯

Database IDs

• CAS Number: 103-33-3
• EC Number: 203-102-5
• MDL Number: MFCD00003022
• Beilstein Number: 1819138
• Merck Index: 14917
• PubChem SID: 24866581; 24849059; 24862720; 162093996; 24867860; 24899300
• PubChem CID: 2272
• CHEBI ID: 58996
• CHEMBL: 58835
• Chemspider ID: 2185
• KEGG ID: C19334
• Wikipedia Title: Azobenzene

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3791356
• LogD (pH = 7.4): 4.3791394
• Log P: 4.3791394
• Molar Refractivity: 60.377 cm^3
• Polarizability: 21.597153 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 6.4mg/L (25 °C) in water; Methanol
• Apperance: Bright Red Solid; orange-red crystals
• Melting Point: 62-65°C; 65-68 °C(lit.); 65-69°C; 68-69°C; 69 °C (342 K)
• Boiling Point: 293 °C (566 K); 293 °C(lit.); 293°C; 293°C
• Flash Point: 100 °C; 212 °F; 476 °C
• Auto Ignition Point: 890 °F
• Density: 1.09 g/cm3, solid; 1.09 g/mL at 25 °C(lit.); 1.203
• Vapor Pressure: 1 mmHg ( 104 °C)
• Hydrophobicity(logP): 3.85
• pKa: 3.3

Safety Information

• Storage Condition: Refrigerator
• RTECS: CN1400000
• 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: 45-20/22-48/22-50/53-68; 45-20/22-48/22-68-50/53; R:20/22-40-45-48/22-50/53
• Safety Statements: 53-45-60-61; S:45-53-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• Main Hazard: toxic
• GHS Hazard statements: H302-H332-H341-H350-H373-H410; H350-H341-H373-H400-H410-H302-H332
• GHS Precautionary statements: P201-P273-P281-P308 + P313-P501; P260-P261-P281-P304+P340-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves, type P2 (EN 143) respirator cartridges; 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%; 96%; 97+%; 98%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 500 mg; pkg of 1 g
• Linear Formula: C6H5N=NC6H5

DETAILS

MP Biomedicals - 05205000

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 150738

Packaging
25 g in glass bottle

Sigma Aldrich - 36689

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 424633

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - A931000

Impurity in the production of Phenylbutazone (P319570).

REFERENCES

• Chung, K., et al.: Mutation Res., 114, 269 (1983)
• Kawanishi, S., et al.: J. Biol. Chem., 261, 5952 (1983)
• Floyd, R., et al.: Carcinogenesis, 11, 1447 (1983)
• Shibutani, S., et al.: Nature, 349, 431 (1983)