α-Phenyl-2-pyridineacetonitrile
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α-Phenyl-2-pyridineacetonitrile
structure -
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CAS No:
5005-36-7
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Formula:
C13H10N2
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Chemical Name:
α-Phenyl-2-pyridineacetonitrile
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Synonyms:
2-Pyridineacetonitrile,α-phenyl-;α-Phenyl-2-pyridineacetonitrile;α-Phenyl-α-(2-pyridyl)acetonitrile;2-Phenyl-2-(2-pyridyl)acetonitrile;2-Pyridylphenylacetonitrile;Phenyl(pyridin-2-yl)acetonitrile;NSC 16276;2-Phenyl-2-(pyridin-2-yl)acetonitrile;2-Phenyl-2-pyridin-2-ylacetonitrile
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CAS No:
α-Phenyl-2-pyridineacetonitrile Basic Attributes
194.23
194.23
225-677-1
16276
DTXSID5040916
2933399090
Characteristics
36.7
2.1
Off-White Crystalline Solid
1.1±0.1 g/cm3
88-89 °C @ Solvent: Ethyl acetate
150-155 °C @ Press: 0.5 Torr
115.2±8.9 °C
1.589
-20°C Freezer
Safety Information
6.1
UN 3439 6.1/PG III
36/37/38
26-36
Xi
P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, P501
H319
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified
α-Phenyl-2-pyridineacetonitrile Use and Manufacturing
The major metabolite of Antigastrin, α-Phenyl-α-(2-pyridyl)thioacetamide (SC 15396) and other thioamides.
Proteins, soybean: ACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Cosmetics -> Emollient; Moisturising; Skin conditioning; Solvent
Computed Properties
Molecular Weight:194.23
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:194.084398327
Monoisotopic Mass:194.084398327
Topological Polar Surface Area:36.7
Heavy Atom Count:15
Complexity:234
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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