9,10-dihydrophenanthrene

• ChemBase ID: 79652
• Molecular Formular: C14H12
• Molecular Mass: 180.24508
• Monoisotopic Mass: 180.09390038
• SMILES: C1c2c(cccc2)c2ccccc2C1
• Canonical SMILES: c1ccc2c(c1)c1ccccc1CC2
• InChI: InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
• InChIKey: XXPBFNVKTVJZKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dihydrophenanthrene
• IUPAC Traditional name: 9,10-dihydrophenanthrene
• Synonyms: 9,10-dihydrophenanthrene; 9,10-Dihydrophenanthrene; 9,10-二氢菲

Database IDs

• CAS Number: 776-35-2
• EC Number: 212-278-2
• MDL Number: MFCD00001164
• Beilstein Number: 1907655
• PubChem SID: 24893340; 24863240; 162044415
• PubChem CID: 13058

CALCULATED PROPERTIES

• Polarizability: 24.28826 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.183588
• LogD (pH = 7.4): 4.183588
• Log P: 4.183588
• Molar Refractivity: 59.4744 cm^3

PROPERTIES

Physical Property

• Melting Point: 30-35 °C; 30-35 °C(lit.)
• Boiling Point: 168-169 °C/15 mmHg(lit.)
• Flash Point: 110 °C; 230 °F

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H400
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥90% (GC); 94%
• Grade: technical
• Empirical Formula (Hill Notation): C14H12

DETAILS

Sigma Aldrich - D106003

Packaging
5 g in glass bottle