10H-phenoxazine

• ChemBase ID: 110855
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: N1c2ccccc2Oc2ccccc12
• Canonical SMILES: c1ccc2c(c1)Oc1c(N2)cccc1
• InChI: InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
• InChIKey: TZMSYXZUNZXBOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10H-phenoxazine
• IUPAC Traditional name: phenoxazine
• Synonyms: Phenoxazine; PHENOTAZINE; Phenoxazine; 吩噁嗪

Database IDs

• CAS Number: 135-67-1
• EC Number: 205-210-8
• MDL Number: MFCD00005014
• Beilstein Number: 143234
• Merck Index: 147253
• PubChem SID: 24898206; 162096555; 24887215; 24855892
• PubChem CID: 67278

CALCULATED PROPERTIES

• Acid pKa: 16.806322
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9402127
• LogD (pH = 7.4): 2.940213
• Log P: 2.940213
• Molar Refractivity: 54.727 cm^3
• Polarizability: 21.080141 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154-158°C; 156-158 °C; 156-159 °C(lit.)

Safety Information

• RTECS: SP7450000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (GC); ≥99%; 97%; 98%
• Grade: purum
• Purified By: sublimation
• Empirical Formula (Hill Notation): C12H9NO

DETAILS

MP Biomedicals - 05216614

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 263893

Packaging
1 g in glass bottle

Sigma Aldrich - P14858

Packaging
1, 5 g in glass bottle