ChemicalBook--->CAS DataBase List--->3009-97-0

3009-97-0

3009-97-0 Structure

3009-97-0 Structure
IdentificationBack Directory
[Name]

N-Phenylglycinonitrile
[CAS]

3009-97-0
[Synonyms]

anilino-acetonitril
anilinoacetonitrile
phenylglycinenitrile
1-anilinoacetonitrile
N-PHENYLGLYCINONITRILE
2-phenylglycinonitrile
n-(cyanomethyl)aniline
n-phenylglycinenitrile
Acetonitrile, anilino-
phenylamino-acetonitril
N-PHENYLGLYCINONITRILE,97%
Acetonitrile,2-(phenylaMino)-
N-Phenylglycinonitrile, 97% 10GR
[EINECS(EC#)]

221-129-0
[Molecular Formula]

C8H8N2
[MDL Number]

MFCD00044430
[MOL File]

3009-97-0.mol
[Molecular Weight]

132.16
Chemical PropertiesBack Directory
[Appearance]

yellowish crystalline low melting solid
[Melting point ]

40 °C
[Boiling point ]

234.08°C (rough estimate)
[density ]

1.1083 (rough estimate)
[refractive index ]

1.6013 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Low Melting Solid
[pka]

1.28±0.50(Predicted)
[color ]

Yellow
[InChI]

1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2
[InChIKey]

KAXCEFLQAYFJKV-UHFFFAOYSA-N
[SMILES]

N#CCNc1ccccc1
[CAS DataBase Reference]

3009-97-0
Questions And AnswerBack Directory
[Preparation]

Aniline and hydroxyacetonitrile react in the presence of a catalyst until the hydroxyacetonitrile content is less than 1%; acid is added to adjust the pH value, and the organic phase in the lower layer of the reaction solution is separated while hot and then processed to obtain N-Phenylglycinonitrile.
Hazard InformationBack Directory
[Chemical Properties]

yellowish crystalline low melting solid
[Uses]

N-Phenylglycinonitrile is a useful building block used in the preparation of purine derivatives with ability to inhibit protein kinases by competitive displacement of ATP.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-22
[Safety Statements ]

36/37
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

29269095
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Dam. 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

N-Phenylglycinonitrile(3009-97-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

N-Phenylglycinonitrile(3009-97-0)1HNMR
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