Basic information
- CAS
17526-24-8- Standard SMILES
CC(=O)OCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
TUXPBTQUURFHPD-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-methanol, acetate
- IUPAC
- benzo[a]anthracen-7-ylmethyl acetate
- English name
- 7-AcetoxyMethylbenz[a]anthracene
- Molecular formula
- C21H16O2
- Molecular weight
- 300.35
Names & synonyms
17526-24-8Benz(a)anthracene-7-methanol, acetateBenz[a]anthracene-7-methanol 7-Acetatebenzo[a]anthracen-7-ylmethyl acetate7-Acetoxymethylbenz[a]anthracene(TETRAPHEN-7-YL)METHYL ACETATE7-Acetoxymethylbenz(a)anthraceneBenz[a]anthracene-7-methanol-13C7-Acetate1391053-07-8CCRIS 280010-Acetoxymethyl-1,2-benzanthraceneBRN 2144721
Show more names
Benz[a]anthracene-7-Methanol Acetate
Acetic acid, benz(a)anthracene-7-methanol esterDTXSID5016995910-Acetoxymethyl-1,2-benzanthracenDB-253844
Database identifiers
- CAS
17526-24-8- PubChem CID
- 87145
- DTXSID
DTXSID50169959- Nikkaji
- J35.555K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 401.58 °C · 401.58°C (rough estimate)
- Density
- 1.1027 · 1.1027 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- solubility
- Dichloromethane/Ethyl Acetate solution; Tetrahydrofuran
- form
- Solid
- color
- Brown
- Toxicity
- 1 nmol/plate · mmo-sat 1 nmol/plate DCTODJ 2,383,79
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
- mmo-sat 1 nmol/plate DCTODJ 2,383,79
Chemistry & industry
Applications
UsesBenz[a]anthracene derivative. Mutagenic.
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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