9,10-dihydroanthracene

• ChemBase ID: 104920
• Molecular Formular: C14H12
• Molecular Mass: 180.24508
• Monoisotopic Mass: 180.09390038
• SMILES: C1c2ccccc2Cc2ccccc12
• Canonical SMILES: c1ccc2c(c1)Cc1c(C2)cccc1
• InChI: InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
• InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dihydroanthracene
• IUPAC Traditional name: 9,10-dihydroanthracene
• Synonyms: 9,10-Dihydroanthracene; 9,10-DIHYDROANTHRACENE; 9,10-二氢蒽

Database IDs

• CAS Number: 613-31-0
• EC Number: 210-336-1
• MDL Number: MFCD00001239
• Beilstein Number: 1364575
• PubChem SID: 162092495; 24847705
• PubChem CID: 11940

CALCULATED PROPERTIES

• 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
• Polarizability: 22.819302 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-107 °C(lit.)
• Boiling Point: 312 °C(lit.)
• Density: 0.88 g/mL at 25 °C(lit.)

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, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%; 97%
• Empirical Formula (Hill Notation): C14H12

DETAILS

MP Biomedicals - 02157724

Purity: 96%

MP Biomedicals - 05201679

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126179

Packaging
100 g in poly bottle
5 g in glass bottle