9-chloro-9-phenyl-9H-xanthene

• ChemBase ID: 81905
• Molecular Formular: C19H13ClO
• Molecular Mass: 292.75892
• Monoisotopic Mass: 292.06549272
• SMILES: O1c2c(cccc2)C(c2ccccc12)(c1ccccc1)Cl
• Canonical SMILES: ClC1(c2ccccc2)c2ccccc2Oc2c1cccc2
• InChI: InChI=1S/C19H13ClO/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
• InChIKey: HTGMODSTGYKJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-9-phenyl-9H-xanthene
• IUPAC Traditional name: 9-chloro-9-phenylxanthene
• Synonyms: Pixyl chloride; 9-Chloro-9-phenylxanthene; 9-chloro-9-phenyl-9H-xanthene; 9-氯-9-苯基氧杂蒽

Database IDs

• CAS Number: 42506-03-6
• EC Number: 255-857-5
• MDL Number: MFCD00010195
• Beilstein Number: 237712
• PubChem SID: 162069024; 24855736; 24853095
• PubChem CID: 170655

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5200114
• LogD (pH = 7.4): 5.5200114
• Log P: 5.5200114
• Molar Refractivity: 86.5453 cm^3
• Polarizability: 33.18846 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 102-106 °C; 102-106 °C(lit.)

Safety Information

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

Product Information

• Purity: ≥97.0% (AT); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C19H13ClO

DETAILS

Sigma Aldrich - 218855

Packaging
1 g in glass bottle

Sigma Aldrich - 26035

Other Notes
Reagent for the introduction of the 9-phenyl-9-xanthenyl protecting group for alcohols1,2,3; N-Protection of carboxamides4