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39201-33-7

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39201-33-7 Structure

39201-33-7 Structure
IdentificationBack Directory
[Name]

4-Cyanobutyric acid
[CAS]

39201-33-7
[Synonyms]

4-Cyanobutyric acid
4-Cyanobutanoic acid
4-Cyanobutyricacid,95%
Butanoic acid, 4-cyano-
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C5H7NO2
[MDL Number]

MFCD00218781
[MOL File]

39201-33-7.mol
[Molecular Weight]

113.11
Chemical PropertiesBack Directory
[Melting point ]

35 °C
[Boiling point ]

189.47°C (rough estimate)
[density ]

1.141
[refractive index ]

1.4340 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

2.42(at 25℃)
[Appearance]

Off-white to light yellow Solid
[InChI]

1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
[InChIKey]

YXBVMSQDRLXPQV-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCC#N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[WGK Germany ]

WGK 3
[HazardClass ]

8
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

4-Cyanobutanoic Acid is used in chemoenzymic production of lactams from aliphatic α,ω-dinitriles.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyanobutyric acid(39201-33-7)1HNMR
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