(3S)-4-chloro-3-hydroxybutanenitrile

Basic Information

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CAS Number

127913-44-4

Molecular Formula

C4H6ClNO

Molecular Weight

108.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

286.2°C at 760 mmHg

Flash Point

110 °C

Refractive Index

n20/D 1.474(lit.)

SMILES

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O[C@H](CCl)CC#N

InChI

InChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3/t4-/m0/s1

InChIKey

VNBFUGOVQMFIRN-BYPYZUCNSA-N

LogP

0.9961

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

84.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(S)-4-Chloro-3-hydroxybutyronitrile
(S)-(-)-4-Chloro-3-hydroxybutyronitrile
(S)-(-)-4-chloro 3-hydroxybutyronitrile
S-4-Chloro-3-hydroxybutyronitrile
(3S)-4-Chloro-3-hydroxybutyronitrile
(S)-4-Chloro-3-hydroxy-butyronitrile
C4H6ClNO
(3S)-4-chloro-3-hydroxybutanenitrile
(S)-(-)4-Chloro-3-hydroxybutyronitrile
Butanenitrile,4-chloro-3-hydroxy-, (S)-
(S)-4-Chloro-3-hydro
4-CHLORO-3-HYDROXY-BUTYRONITRILE
(S)-4-chloro-3-hydroxybutanenitrile
(3S)-4-chloro-3-hydorxybutyronitrile
S-(-)-4-chloro-3-hydorxy butyronitrile
Butanenitrile,4-chloro-3-hydroxy-, (3S)-
Butanenitrile, 4-chloro-3-hydroxy-, (3S)-
PubChem5929
KSC495M7R
Jsp001749
FCH833742
CC0208
AM81472
LS30056
(3S)-

MDL Number

MFCD00273363

Customs Code

2942000000

FAQ

What is (3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4)?

(3S)-4-chloro-3-hydroxybutanenitrile, with CAS number 127913-44-4, is a synthetic organic compound characterized by a four-carbon chain with a chlorine atom at the 4th position, a hydroxyl group at the 3rd position, and a nitrile group at the 1st position. It is a colorless liquid with a distinct odor and exhibits polar properties due to the presence of hydroxyl and nitrile functional groups. This compound is used in various chemical applications due to its reactivity and structural versatility.

What are the main uses of (3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4)?

(3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs and bioactive compounds. It also finds applications in organic synthesis, chemical research, and industrial processes where functional group modification is required. Its unique structure makes it valuable in the development of new materials and chemical derivatives.

Is (3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4) safe?

The safety of (3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4) depends on the handling conditions. It is generally considered toxic if inhaled or ingested, and may cause skin and eye irritation. Proper protective equipment, such as gloves, goggles, and a fume hood, should be used when working with this compound. It is important to follow standard safety protocols and ensure proper ventilation to minimize exposure risks.

How should (3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4) be stored?

(3S)-4-chloro-3-hydroxybutanenitrile (CAS: 127913-44-4) should be stored in a cool, dry, and well-ventilated area, away from light and incompatible substances. It is best kept in a sealed, airtight container at a temperature below 25°C. Due to its reactivity, it should be stored in a non-corrosive material and handled with care to prevent degradation or contamination.