| Identification | More | [Name]
(S)-4-Chloro-3-hydroxybutyronitrile | [CAS]
127913-44-4 | [Synonyms]
4-CHLORO-3-HYDROXY-BUTYRONITRILE
(S)-(-)-4-CHLORO-3-HYDROXYBUTYRONITRILE
(S)-4-CHLORO-3-HYDROXYBUTYRONITRILE
(S)-(-)-4-CHLORO-3-HYDROXYBUTYRONITRILE, 97% (97% EE/GLC)
(S)-4-CHLORO-3-HYDROXYBUTYRONITRILE 98+% | [EINECS(EC#)]
1308068-626-2 | [Molecular Formula]
C4H6ClNO | [MDL Number]
MFCD00273363 | [Molecular Weight]
119.55 | [MOL File]
127913-44-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Boiling point ]
110 °C/1 mmHg(lit.) | [density ]
1.250 g/mL at 20 °C(lit.) | [refractive index ]
n20/D 1.474(lit.) | [Fp ]
110 °C | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Oil | [pka]
12.67±0.20(Predicted) | [color ]
Clear Colourless | [InChI]
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1 | [InChIKey]
LHBPNZDUNCZWFL-BYPYZUCNSA-N | [SMILES]
C(#N)C[C@H](O)CCl | [CAS DataBase Reference]
127913-44-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Uses]
(3S)-4-Chloro-3-hydroxybutyronitrile is used in various organic precursor syntheses. It is used in the synthesis of hydroxypyrrolidinones to by used as carbapenem precursors. Also used in the preparat
ion of atorvastatin (A791750) precursors. Impurity in the synthesis of Rosuvastatin (R700500), a selective, competitive HMG-CoA reductase inhibitor. Antilipemic. |
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