Basic information
- CAS
5467-94-7- Standard SMILES
N#CC(C#N)(OC(=O)c1ccccc1)c1ccccc1- InChIKey
ZVSMJEBFSMHOPE-UHFFFAOYSA-N- Molecular formula
- C16H10N2O2
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.07422757
Names & identifiers
- Preferred name
- alpha,alpha-Dicyanobenzyl benzoate
- IUPAC
- [dicyano(phenyl)methyl] benzoate
- English name
- alpha,alpha-dicyanobenzyl benzoate
- Molecular formula
- C16H10N2O2
- Molecular weight
- 262.26
Names & synonyms
alpha,alpha-Dicyanobenzyl benzoate5467-94-7[dicyano(phenyl)methyl] benzoate2-Benzoyloxy-2-phenylmalononitriledicyanophenylmethyl benzoateDicyano(phenyl)methyl benzoateBenzoic Acid Dicyano-Phenyl-Methyl EsterEINECS 226-782-5SCHEMBL8071064Dicyano(phenyl)methyl benzoate #DTXSID60203131ZVSMJEBFSMHOPE-UHFFFAOYSA-N
Show more names
2-benzoyloxy-2-phenylmalonitrileBenzoic acid α,α-dicyanobenzyl ester2-(Benzoyloxy)-2-phenylpropanedinitrilePropanedinitrile, 2-(benzoyloxy)-2-phenyl-
Tartrononitrile, phenyl-, benzoateNSC25424NSC 25424NSC-25424SBB057236Propanedinitrile, (benzoyloxy)phenyl-AKOS0243425532-BENZOYLOXY-2-PHENYLMALONO-NITRILE
Database identifiers
- CAS
5467-94-7- PubChem CID
- 79600
- DTXSID
DTXSID60203131- EC Number
- 151-114-3、226-782-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 96 · 96-98 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 452.3 · 452.3±45.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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