(S)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol , 95% , 209414-27-7

Synonym(s):
(S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol;(S)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

CAS NO.：209414-27-7

Empirical Formula: C13H11ClF3NO

Molecular Weight: 289.68

MDL number: MFCD11858340

PRODUCT Properties

• Melting point: 134-136°C
• Boiling point: 425.1±45.0 °C(Predicted)
• Density: 1.46
• storage temp.: 2-8°C(protect from light)
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• pka: 9.13±0.24(Predicted)
• color: White to Off-White
• Major Application: pharmaceutical
• InChI: 1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1
• InChIKey: KEMUGFRERPPUHB-LBPRGKRZSA-N
• SMILES: FC(F)(F)[C@@](O)(c2c(ccc(c2)Cl)N)C#CC1CC1

Description and Uses

Intermediate in the preparation of Efavirenz (E425000) impurity.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338
• WGK Germany: WGK 3
• HS Code: 2922199695
• Storage Class: 11 - Combustible Solids