| Identification | Back Directory | [Name]
3-HYDROXYBUTYRONITRILE | [CAS]
4368-06-3 | [Synonyms]
3-HYDROXYBUTYRONITRILE
3-Hydroxybutanenitrile
3-Hydroxybutyronitrile,95%
3-HYDROXYBUTYRONITRILE 95%
3-Hydroxybutyronitrile, 1-Cyanopropan-2-ol | [EINECS(EC#)]
224-457-2 | [Molecular Formula]
C4H7NO | [MDL Number]
MFCD03427120 | [MOL File]
4368-06-3.mol | [Molecular Weight]
85.1 |
| Chemical Properties | Back Directory | [Appearance]
clear slightly yellow to amber liquid | [Boiling point ]
214 °C(lit.)
| [density ]
0.976 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.429(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Storage temp. 2-8°C | [pka]
13.89±0.20(Predicted) | [InChI]
1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3 | [InChIKey]
BYJAJQGCMSBKPB-UHFFFAOYSA-N | [SMILES]
CC(O)CC#N |
| Hazard Information | Back Directory | [Chemical Properties]
clear slightly yellow to amber liquid | [Uses]
β-Hydroxybutyronitrile is an intermediate used to prepare 2-Methylazetidine which is a derivative of Azetidine (A813000), a useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties. | [Definition]
ChEBI: 3-hydroxybutanenitrile is a hydroxynitrile that is butyronitirle in which a hydrogen at position 3 has been replaced by a hydroxy group. | [General Description]
3-Hydroxybutyronitrile is a β-hydroxynitrile derivative. It undergoes thermolysis in the gas-phase through the formation of a six-membered cyclic transition state. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3
| [HS Code ]
29269095 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
|
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