(2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile

Basic Information

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CAS Number

241479-74-3

Molecular Formula

C13H12F2N4O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

522.5°C at 760 mmHg

SMILES

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N#C[C@@H]([C@@](c1cc(F)ccc1F)(Cn1cncn1)O)C

InChI

InChI=1S/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-4-10(14)2-3-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/m0/s1

InChIKey

SYSUFNUKZJVPBI-TVQRCGJNSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

388

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile
(2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile
1H-1,2,4-Triazole-1-butanenitrile, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αS,βR)-
(2S,3R)-3-(2,5-difluoro-phenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-butyronitrile
(AlphaS,BetaR)-Beta-(2,5-Difluorophenyl)-Beta-hydroxy-Alpha-methyl-1H-1,2,4-triazole-1-butanenitrile
(S,R)--(2,5-Difluorophenyl)--hydroxy--Methyl-1H-1,2,4-triazole-1-butanenitrile
SYSUFNUKZJVPBI-TVQRCGJNSA-N
(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
AK175706
1H-1,2,4-Triazole-1-butanenitrile,
A-(2,5-difluoro
3-(2,5-Difluoro-phenyl)-3-hydroxy-2-methyl-4-[1,2,4]tr

MDL Number

MFCD28411477

FAQ

What is (2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile (CAS: 241479-74-3)?

It is a chemical compound with the CAS number 241479-74-3. This compound is an nitrile derivative with a 3-hydroxy-2-methylbutanenitrile structure attached to a 2,5-difluorophenyl group and an 1H-1,2,4-triazole moiety.

What are the main uses of (2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile (CAS: 241479-74-3)?

This compound is primarily used in pharmaceutical research and development, particularly for its potential anti-inflammatory and antiviral properties. It may also have applications in drug discovery and synthesis.

Is (2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile (CAS: 241479-74-3) safe?

This compound is generally safe when handled with proper precautions. Users should avoid skin contact and inhalation. Protective gloves and goggles are recommended. Storage in a cool, dry place and away from direct sunlight is advised.

How should (2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile (CAS: 241479-74-3) be stored?

This compound should be stored in a cool, dry place under nitrogen or argon atmosphere to prevent oxidation. It should be kept away from direct sunlight and stored in a tightly sealed container to maintain its stability. Avoid temperatures above 30°C and ensure good ventilation in the storage area.