N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide , 98% , 90357-51-0

CAS NO.：90357-51-0

Empirical Formula: C12H9F3N2O2

Molecular Weight: 270.21

MDL number: MFCD08460201

EINECS: 618-536-4

PRODUCT Properties

• Melting point: 151-152 °C
• Boiling point: 436.4±45.0 °C(Predicted)
• Density: 1.42±0.1 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: 12.08±0.70(Predicted)
• color: White to Off-White
• 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
• SMILES: O1CC1(C)C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)=O
• CAS DataBase Reference: 90357-51-0(CAS DataBase Reference)

Description and Uses

N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide, is an intermediate in synthesis of more complex pharmaceutical compounds. It is used in the synthesis of potential impurities of Bicalutamide (B382000), which is an oral nonsteroidal, anti-androgen drug used for prostate cancer.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319
• Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
• Safety Statements: 24/25
• HS Code: 29269090