N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide

Basic Information

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CAS Number

90357-51-0

Molecular Formula

C12H9F3N2O2

Molecular Weight

270.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

436.4°C at 760 mmHg

Density

1.42 g/cm3

Flash Point

217.7oC

Refractive Index

1.526

SMILES

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CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)

InChIKey

UQUQTWDUTIAAAY-UHFFFAOYSA-N

LogP

2.37748

Complexity

428

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

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Synonyms & References

English

N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-2-OXIRANE CARBOXAMIDE
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-Oxiranecarboxamide
1,2-Epoxy-2-Methyl-N[4-Cyano-3(Trifluoromethyl)-Phenyl]Propanamide
1,2-EPOXY-2-METHYL-N-[4-CYANO-3-(TRIFLUOROMETHYL)]
N-[4-Cyano-3-(Trifluoromethyl)phenyl]methacrylamide Epoxide
1,2-Epoxy-2-methyl-N[4-cyano-3(trifluoromethyl)-phenyl] propanamide (Intermediate for Bicalutamide)
N-[4-Cyano-3-trifluoromethy phenyl]-2-oxirane carboxamide
N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide
1,2-Epoxy-2-methyl-N-(4-cyano-3-trifluoromethyl)-phenyl)propaneamide
N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyl-oxiranecarboxamine
N-(4-cyano-3-trifluoromethyl-phenyl)-2-methyl-2-oxirane-propionamide
N-[4-Cyano-3-(trifluoroMethyl)phenyl]MethacrylaMid
rac-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methylo
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide
Bicalutamide Epoxide Impurity
4-Cyano-N-(2,3-epoxy-2-methylpropionyl)-3-trifluoromethylaniline
Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
UQUQTWDUTIAAAY-UHFFFAOYSA-N
PubChem13753
N-[
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide (ACI)
Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl- (9CI)
Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-, (±)- (ZCI)
2-Methyloxirane-2-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide
N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide
NS00134150
Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxirane carboxamide
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-oxirane-2-carboxamide
2-Methyl-oxirane-2-carboxylic acid (4-cyano-3-trifluoromethyl-phenyl)-amide
1,2-Epoxy-2-methyl-N-[4-cyano-3-(trifluoromethyl)-phenyl]propionamide

MDL Number

MFCD08460201

Customs Code

2926909090

FAQ

What is N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0)?

N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0) is a synthetic organic compound featuring a cyano group, trifluoromethyl substituent, and an oxirane ring linked to a carboxamide functional group. It is typically a white solid with moderate solubility in polar solvents and exhibits stability under standard conditions. Its structure makes it a key intermediate in pharmaceutical and chemical synthesis applications.

What are the main uses of N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0)?

This compound is primarily used in pharmaceutical research as an intermediate for developing drugs targeting metabolic disorders. It also finds applications in industrial chemistry for synthesizing fluorinated materials and in organic synthesis as a building block. Its unique functional groups make it valuable in creating bioactive molecules and specialized polymers.

Is N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0) safe?

Safety of N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0) depends on exposure conditions. It may have irritant properties and should be handled with appropriate personal protective equipment (PPE). While no specific toxicity data is widely publicized, standard lab safety protocols and proper ventilation are recommended to ensure safe use and compliance with regulatory guidelines.

How should N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0) be stored?

Store N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide (CAS: 90357-51-0) in a tightly sealed, cool (2-8°C), and dry container, away from light and moisture. Avoid exposure to air and incompatible substances to maintain stability and prevent degradation. Use a desiccator if long-term storage is required.