Basic information
- CAS
63018-69-9- Standard SMILES
N#CCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
GHUUNAACTDWPKC-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- Benz[a]anthracene-7-acetonitrile
- IUPAC
- 2-benzo[a]anthracen-7-ylacetonitrile
- English name
- Benz[a]anthracene-7-acetonitrile
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
Benz[a]anthracene-7-acetonitrile63018-69-9BENZ(a)ANTHRACEN-7-ACETONITRILE2-(TETRAPHEN-7-YL)ACETONITRILEBRN 333513210-Cyanomethyl-1,2-benzanthracene(Tetraphen-7-yl)acetonitrile3-09-00-03626 (Beilstein Handbook Reference)DTXSID50212252NCA01869DB-318631nz[a]anthracene-7-acetonitrile
Database identifiers
- CAS
63018-69-9- PubChem CID
- 44272
- DTXSID
DTXSID50212252- Nikkaji
- J73.174I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 400.51 °C · 400.51°C (rough estimate)
- Density
- 0.9889 · 0.9889 (rough estimate)
- refractive index
- 1.861 · 1.8610 (estimate)
- solubility
- Chloroform, Dichloromethane, Dimethyl Formamide, Tetrahydrofuran
- form
- Solid
- color
- Brown
Chemistry & industry
Applications
UsesBenzanthracene derivative. Intermediate in the synthesis of growth-inhibitory polycyclic compounds.
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [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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