phenazine

• ChemBase ID: 78357
• Molecular Formular: C12H8N2
• Molecular Mass: 180.20532
• Monoisotopic Mass: 180.06874827
• SMILES: n1c2c(nc3ccccc13)cccc2
• Canonical SMILES: c1ccc2c(c1)nc1c(n2)cccc1
• InChI: InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
• InChIKey: PCNDJXKNXGMECE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenazine
• IUPAC Traditional name: phenazine
• Synonyms: AZOPHENYLENE; Dibenzopyrazine; PHENAZINE; Dibenzo[b,e]pyrazine; Phenazine; Phenazine 99+%; 二苯并吡嗪; 吩嗪

Database IDs

• CAS Number: 92-82-0
• EC Number: 202-193-9
• MDL Number: MFCD00005023
• Beilstein Number: 126500
• PubChem SID: 162043126; 24898186
• PubChem CID: 4757
• CHEBI ID: 36674
• CHEMBL: 119870
• Chemspider ID: 4593
• Unique Ingredient Identifier: 6985IP0T80
• Wikipedia Title: Phenazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.059578
• LogD (pH = 7.4): 3.0602472
• Log P: 3.0602558
• Molar Refractivity: 53.1566 cm^3
• Polarizability: 23.783388 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: yellow crystalline; yellow to brown crystalline powder
• Melting Point: 172-176 °C(lit.); 175-177°C; 175-177°C; 177°C
• Boiling Point: 357.2°C @ 760mmHg
• Flash Point: 160.3°C
• Density: 1.25g/cm^3
• Fluorescence: λex 426 nm; λem 471 nm in ethyl acetate

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful
• RTECS: SG1360000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... PRNP(5621)

Product Information

• Purity: 95+%; 98%; 99+%
• Empirical Formula (Hill Notation): C12H8N2

DETAILS

MP Biomedicals - 05204737

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102605

Yellow crystals

Sigma Aldrich - P13207

Packaging
10 g in glass bottle