(anthracen-9-yl)methanol

• ChemBase ID: 69992
• Molecular Formular: C15H12O
• Molecular Mass: 208.25518
• Monoisotopic Mass: 208.088815
• SMILES: c1cccc2cc3ccccc3c(c12)CO
• Canonical SMILES: OCc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
• InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (anthracen-9-yl)methanol; anthracen-9-ylmethanol
• IUPAC Traditional name: 9-anthracenemethanol
• Synonyms: 9-ANTHRACENE METHYL CARBINOL; 9-(hydroxymethyl)anthracene; 9-(Hydroxymethyl)anthracene; 9-Anthracenemethanol; 9-Anthracenemethanol; 9-蒽烯甲醇; 9-(羟甲基)蒽; 9-蒽甲醇

Database IDs

• CAS Number: 1468-95-7
• EC Number: 215-998-5
• MDL Number: MFCD00001264
• Beilstein Number: 1873402
• PubChem SID: 24851260; 162035717
• PubChem CID: 73848

CALCULATED PROPERTIES

• Acid pKa: 15.277145
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1848495
• LogD (pH = 7.4): 3.1848495
• Log P: 3.1848495
• Molar Refractivity: 65.7743 cm^3
• Polarizability: 28.062937 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-162 °C; 161-165°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: CB0577500
• German water hazard class: 3
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (HPLC); 95+%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C15H12O

DETAILS

MP Biomedicals - 05220602

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 187240

Packaging
5, 10, 50 g in glass bottle

Sigma Aldrich - 55612

Other Notes
Intermediate for preparing various protecting group reagents1,2,3

REFERENCES

• For use of the 9-anthrylmethyl group for carboxyl protection, see 9-(Chloromethyl)anthracene, A13579.