1-methylanthracene

• ChemBase ID: 136862
• Molecular Formular: C15H12
• Molecular Mass: 192.25578
• Monoisotopic Mass: 192.09390038
• SMILES: Cc1cccc2c1cc1ccccc1c2
• Canonical SMILES: Cc1cccc2c1cc1ccccc1c2
• InChI: InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
• InChIKey: KZNJSFHJUQDYHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylanthracene
• IUPAC Traditional name: 1-methylanthracene
• Synonyms: 1-Methylanthracene; 1-甲基蒽

Database IDs

• CAS Number: 610-48-0
• EC Number: 210-224-2
• MDL Number: MFCD00015362
• PubChem SID: 24860148; 162231129
• PubChem CID: 11884

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: 27.516531 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-88 °C(lit.)
• Boiling Point: 363 °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%
• Empirical Formula (Hill Notation): C15H12