4-(2-phenyldiazen-1-yl)aniline

• ChemBase ID: 21910
• Molecular Formular: C12H11N3
• Molecular Mass: 197.23584
• Monoisotopic Mass: 197.09529737
• SMILES: N(=N\c1ccccc1)/c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+
• InChIKey: QPQKUYVSJWQSDY-CCEZHUSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenyldiazen-1-yl)aniline; 4-[(E)-2-phenyldiazen-1-yl]aniline
• IUPAC Traditional name: 4-(phenylazo)aniline; 4-aminoazobenzene; aniline yellow
• Synonyms: p-AMINOAZOBENZENE; (E)-4-(phenyldiazenyl)aniline; 4-Aminoazobenzene; 4-(Phenyldiazenyl)aniline; 4-[(E)-2-Phenyldiazenyl]aniline; para-aminoazobenzene; 4-phenylazoaniline; AAB; Brasilazina oil Yellow G; Ceres Yellow; Fast spirit Yellow; Induline R; Oil Yellow AAB; Oil Yellow AN; Oil Yellow B; Oil Yellow 2G; Oil Yellow R; Organol Yellow; Organol Yellow 2A; Solvent Yellow; Somalia Yellow 2G; Stearix Brown 4R; Sudan Yellow R; Sudan Yellow RA; C.I. 11000; Aniline Yellow; ANILINE YELLOW, ALCOHOL SOLUBLE; p-Phenylazoaniline; 4-[phenyldiazenyl]aniline; 4-苯基偶氮苯胺; 4-氨基偶氮苯

Database IDs

• CAS Number: 60-09-3
• EC Number: 200-453-6
• MDL Number: MFCD00007854
• Beilstein Number: 1913042
• PubChem SID: 24869842; 24851216; 160985217
• PubChem CID: 6051
• CHEBI ID: 233869
• CHEMBL: 83761
• Chemspider ID: 5828
• KEGG ID: C19187
• Wikipedia Title: Aniline_Yellow
• Color Index Number: 11000

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5486436
• LogD (pH = 7.4): 3.5501938
• Log P: 3.5502136
• Molar Refractivity: 65.0774 cm^3
• Polarizability: 22.716467 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C; 123-126 °C; 123-126 °C(lit.); 128°C
• Boiling Point: > 360 °C; >360 °C(lit.)
• Absorption Wavelength: λmax 386 nm
• Hydrophobicity(logP): 3.353

Safety Information

• Storage Warning: IRRITANT; Toxic
• RTECS: BY8225000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 45-50/53; R:45-50/53
• Safety Statements: 53-45-60-61; S:45-53-60-61
• TSCA Listed: false
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Danger
• Main Hazard: Highly toxic ; Cancer suspect agent
• NFPA704:
  

  2

  0

  1
• GHS Hazard statements: H350-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type N95 (US), type P1 (EN143) respirator filter, type P3 (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%; 98%
• Grade: analytical standard, for environmental analysis
• Linear Formula: C6H5N=NC6H4NH2

DETAILS

MP Biomedicals - 05203477

MP Biomedicals Rare Chemical collection