(3S)-3-Hydroxybutanenitrile

Basic Information

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CAS Number

123689-95-2

Molecular Formula

C4H7NO

Molecular Weight

74.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

217 ºC

Flash Point

85 ºC

SMILES

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CC(CC#N)O

InChI

InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m0/s1

InChIKey

BYJAJQGCMSBKPB-BYPYZUCNSA-N

LogP

0.7772

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

70.9

Synonyms & References

English

123689-95-2
(S)-(+)-3-Hydroxybutyronitrile
AKOS016843368
EN300-2918012
(s)-3-hydroxy butyronitrile
AT38736
(3S)-3-hydroxybutanenitrile
Butanenitrile, 3-hydroxy-, (3S)-
(S)-3-Hydroxybutanenitrile
(3S)-3-hydroxyButanenitrile
Butanenitrile,3-hydroxy-, (3S)-
AC1OUJWU
AG-D-50830
ANW-65594
Butanenitrile,3-hydroxy-, (S)-
CTK4B3593
(S)-(+)-3-HYDROXYBUTYRONITRILE

MDL Number

MFCD07367002

FAQ

What are the physical and chemical properties of (3S)-3-Hydroxybutanenitrile (CAS: 123689-95-2)?

(3S)-3-Hydroxybutanenitrile is a colorless liquid with a molecular weight of approximately 102.11 g/mol. It has a pKa of about 7.0 and is slightly soluble in water but miscible with most organic solvents. It is mildly reactive, particularly under basic conditions, and can be hydrogenated to form (3S)-3-hydroxybutane.

How is (3S)-3-Hydroxybutanenitrile (CAS: 123689-95-2) typically synthesized?

(3S)-3-Hydroxybutanenitrile can be synthesized via the reduction of (3S)-3-cyanobutanal with hydrogen and a catalyst such as palladium on carbon. Another method involves the reaction of 3-cyanobutanone with sodium bisulfite under basic conditions.

What industries use (3S)-3-Hydroxybutanenitrile (CAS: 123689-95-2)?

(3S)-3-Hydroxybutanenitrile is used in the pharmaceutical industry for intermediate synthesis, in polymer science for modifying properties of polymers, and in the chemical sensor industry for developing gas sensing devices. It also has potential applications in the semiconductor and electronics industries.

What precautions should be taken when handling (3S)-3-Hydroxybutanenitrile (CAS: 123689-95-2)?

When handling (3S)-3-Hydroxybutanenitrile, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.