10-methylanthracene-9-carbaldehyde

• ChemBase ID: 111991
• Molecular Formular: C16H12O
• Molecular Mass: 220.26588
• Monoisotopic Mass: 220.088815
• SMILES: Cc1c2ccccc2c(C=O)c2c1cccc2
• Canonical SMILES: O=Cc1c2ccccc2c(c2c1cccc2)C
• InChI: InChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3
• InChIKey: KVWSVUPNZVIFBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methylanthracene-9-carbaldehyde
• IUPAC Traditional name: 10-methylanthracene-9-carbaldehyde
• Synonyms: 9-METHYL-10-ANTHRALDEHYDE; 10-Methylanthracene-9-carboxaldehyde; 10-甲基蒽-9-甲醛

Database IDs

• CAS Number: 7072-00-6
• EC Number: 230-366-9
• MDL Number: MFCD00001256
• PubChem SID: 162096820; 24896785
• PubChem CID: 81519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.178123
• LogD (pH = 7.4): 4.178123
• Log P: 4.178123
• Molar Refractivity: 70.5836 cm^3
• Polarizability: 29.25478 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-171.5 °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: 96%
• Empirical Formula (Hill Notation): C16H12O

DETAILS

MP Biomedicals - 05222090

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M29657

Packaging
1, 5 g in glass bottle