2-methylanthracene

• ChemBase ID: 139975
• Molecular Formular: C15H12
• Molecular Mass: 192.25578
• Monoisotopic Mass: 192.09390038
• SMILES: Cc1ccc2cc3ccccc3cc2c1
• Canonical SMILES: Cc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3
• InChIKey: GYMFBYTZOGMSQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylanthracene
• IUPAC Traditional name: 2-methylanthracene
• Synonyms: 2-Methylanthracene; 2-methylanthracene; 2-甲基蒽

Database IDs

• CAS Number: 613-12-7
• EC Number: 210-329-3
• MDL Number: MFCD00003583
• Beilstein Number: 2042447
• PubChem SID: 24896783; 162234221
• PubChem CID: 11936

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4656205
• LogD (pH = 7.4): 4.4656205
• Log P: 4.4656205
• Molar Refractivity: 63.9996 cm^3
• Polarizability: 27.515875 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-206 °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: 97%; 98%
• Empirical Formula (Hill Notation): C15H12

DETAILS

Sigma Aldrich - M29401

Packaging
1 g in glass bottle