Basic information
- CAS
2564-65-0- Standard SMILES
OCc1c2ccccc2c(CO)c2c1ccc1ccccc12- InChIKey
QFWRHTYGECMMSX-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Overview
structure given in first source
Names & identifiers
- Preferred name
- Benz(a)anthracene-7,12-dimethanol
- IUPAC
- [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol
- English name
- 7,12-dihydroxymethylbenz(a)anthracene
- Molecular formula
- C20H16O2
- Molecular weight
- 288.34
Names & synonyms
7,12-Dihydroxymethylbenz(a)anthracene2564-65-07,12-Bis(hydroxymethyl)benz(a)anthraceneBENZ(a)ANTHRACENE-7,12-DIMETHANOLT5600JLE7TDTXSID701803287,12-dihydroxymethylbenz[a]anthraceneRefChem:105451DTXCID80102819CCRIS 52369:10-Bishydroxymethyl-1:2-benzanthraceneBRN 1997775
Show more names
Benz[a]anthracene-7,12-dimethanol
UNII-T5600JLE7T3-06-00-05845 (Beilstein Handbook Reference)(Tetraphene-7,12-diyl)dimethanolBIS(HYDROXYMETHYL)BENZ(A)ANTHRACENE, 7,12-Q27289689
Database identifiers
- CAS
2564-65-0- PubChem CID
- 17375
- DTXSID
DTXSID70180328- UNII
- T5600JLE7T
- Nikkaji
- J35.529A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 222 · 222-223 °C
- Boiling point
- 390.57 °C · 390.57°C (rough estimate)
- Density
- 1.0992 · 1.0992 (rough estimate)
- refractive index
- 1.787 · 1.7870 (estimate)
- pka
- 14.38 · 14.38±0.10(Predicted)
- FDA UNII
- 5600 JLE7T · T5600JLE7T
- Toxicity
- 20 nmol/plate · mma-sat 20 nmol/plate 46OJAN -,675,81
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 20 nmol/plate 46OJAN -,675,81
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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