Propanedinitrile,2-(benzoyloxy)-2-phenyl-(CAS No. 5467-94-7) CAS NO.5467-94-7

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Product Details

Keywords

Propanedinitrile,2-(benzoyloxy)-2-phenyl-
5467-94-7
98%

Quick Details

ProName: Propanedinitrile,2-(benzoyloxy)-2-phen...
CasNo: 5467-94-7
Molecular Formula: C16H10 N2 O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
Propanedinitrile,2-(benzoyloxy)-2-phenyl-
【Iupac name】
[dicyano(phenyl)methyl] benzoate
【CAS Registry number】
5467-94-7
【Synonyms】
Propanedinitrile,(benzoyloxy)phenyl- (9CI)
Tartrononitrile, phenyl-, benzoate (6CI,7CI)
Tartrononitrile, phenyl-, benzoate (ester) (8CI)
(Benzoyloxy)phenylpropanedinitrile
NSC 25424
【EINECS(EC#)】
226-782-5
【Molecular Formula】
C16H10 N2 O2 (Products with the same molecular formula)
【Molecular Weight】
262.2628
【Inchi】
InChI=1/C16H10N2O2/c17-11-16(12-18,14-9-5-2-6-10-14)20-15(19)13-7-3-1-4-8-13/h1-10H
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)OC(C#N)(C#N)C2=CC=CC=C2
【MOL File】
5467-94-7.mol
Chemical and Physical Properties
【Density】
1.256g/cm3
【Boiling Point】
452.3°Cat760mmHg
【Refractive Index】
1.597
【Flash Point】
197.3°C
【Computed Properties】
Molecular Weight:262.2628 [g/mol]
Molecular Formula:C16H10N2O2
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:4
Exact Mass:262.074228
MonoIsotopic Mass:262.074228
Topological Polar Surface Area:73.9
Heavy Atom Count:20
Formal Charge:0
Complexity:426
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:31

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