9H-xanthene

• ChemBase ID: 111547
• Molecular Formular: C13H10O
• Molecular Mass: 182.2179
• Monoisotopic Mass: 182.07316494
• SMILES: C1c2ccccc2Oc2ccccc12
• Canonical SMILES: c1ccc2c(c1)Oc1c(C2)cccc1
• InChI: InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
• InChIKey: GJCOSYZMQJWQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-xanthene
• IUPAC Traditional name: xanthan; xanthan gum
• Synonyms: XANTHENE; Dibenzo[a,e]pyran; 10H-9-oxaanthracene; Xanthene; 9H-Xanthene; 氧杂蒽

Database IDs

• CAS Number: 92-83-1
• EC Number: 202-194-4
• MDL Number: MFCD00005055
• Beilstein Number: 133939
• PubChem SID: 162096735; 24902135; 24890159
• PubChem CID: 7107
• CHEMBL: 486760
• Chemspider ID: 6840
• Wikipedia Title: Xanthene

CALCULATED PROPERTIES

• Molar Refractivity: 55.978 cm^3
• Polarizability: 21.729254 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5920813
• LogD (pH = 7.4): 3.5920813
• Log P: 3.5920813

PROPERTIES

Physical Property

• Apperance: Yellow solid
• Melting Point: 101 - 102°C; 101-102 °C; 101-102 °C(lit.)
• Boiling Point: 310 - °C; 310-312 °C(lit.)

Safety Information

• RTECS: ZD5520000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 42/43; R42 R43
• Safety Statements: 22-36/37-45; S22 S36 S37 S45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 95+%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C13H10O

DETAILS

MP Biomedicals - 05219812

MP Biomedicals Rare Chemical collection

Sigma Aldrich - X201

Packaging
100 g in poly bottle
5 g in glass bottle