ChemicalBook--->CAS DataBase List--->50712-63-5

50712-63-5

50712-63-5 Structure

50712-63-5 Structure
IdentificationBack Directory
[Name]

2-(4-Nitrophenyl)propiononitrile
[CAS]

50712-63-5
[Synonyms]

4-Nitrophenylpropionitrile
2-(4-Nitro-phenyl)acrolein
-Methyl-4-nitrobenzeneitrle
4-(1-Cyanoethyl)nitrobenzene
2-(4-Nitrophenyl)propanenitrile
2-(4-nitrophenyl)propiononitrile
2-(4-NITROPHENYL)PROPIONITRILE 97
Benzeneacetonitrile, α-methyl-4-nitro-
[EINECS(EC#)]

256-731-2
[Molecular Formula]

C9H8N2O2
[MDL Number]

MFCD03427171
[MOL File]

50712-63-5.mol
[Molecular Weight]

176.17
Chemical PropertiesBack Directory
[Melting point ]

74-78 °C (lit.)
[Boiling point ]

324.1±25.0 °C(Predicted)
[density ]

1.217±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3
[InChIKey]

QCPKTMACPAKCKW-UHFFFAOYSA-N
[SMILES]

C1(C(C)C#N)C=CC([N+]([O-])=O)=CC=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
[Hazard Codes ]

Xi
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline solid
[Uses]

Fine chemical entity mostly applied as pharmaceutical intermediate.
Intermediates of flurbiprofen: Flurbiprofen is a nonsteroidal antiinflammatory drug (NSAID) used in treatment of mild-to-moderate pain and symptoms of chronic arthritis.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Nitrophenyl)propiononitrile(50712-63-5)1HNMR
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