1-N-phenylbenzene-1,2-diamine

• ChemBase ID: 91131
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: N(c1ccccc1N)c1ccccc1
• Canonical SMILES: Nc1ccccc1Nc1ccccc1
• InChI: InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
• InChIKey: NFCPRRWCTNLGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-phenylbenzene-1,2-diamine; N1-phenylbenzene-1,2-diamine
• IUPAC Traditional name: 1,2-benzenediamine, N-phenyl-
• Synonyms: 2-Aminodiphenylamine; 2-Aminodiphenylamine; N-Phenyl-o-phenylenediamine; N1-Phenylbenzene-1,2-diamine; o-AMINODIPHENYLAMINE; 2-氨基二苯胺; N-苯基邻苯二胺; N-苯基-o-苯二胺

Database IDs

• CAS Number: 534-85-0
• EC Number: 208-606-9
• MDL Number: MFCD00007685
• Beilstein Number: 908984
• PubChem SID: 24846123; 162077835; 24898366
• PubChem CID: 68297

CALCULATED PROPERTIES

• Acid pKa: 19.628706
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5787385
• LogD (pH = 7.4): 2.5841758
• Log P: 2.5842457
• Molar Refractivity: 59.2446 cm^3
• Polarizability: 22.245983 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-80 °C(lit.); 77-80°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-38; 22-36/37/38
• Safety Statements: 22-24; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H332
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (NT); 96%; 98%
• Grade: purum
• Linear Formula: C6H5NHC6H4NH2

DETAILS

MP Biomedicals - 05206479

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P28352

Packaging
10 g in glass bottle