Efavirenz

About This Item

Molecular Formula	C₁₄H₉ClF₃NO₂
CAS Number	154598-52-4

FC-0094878

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Properties

Chemical Identifiers

IUPAC Name	(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
SMILES	C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI Key	XPOQHMRABVBWPR-ZDUSSCGKSA-N
InChI	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1

Physical Properties

Boiling Point	422.7±55.0 °C at 760 mmHg
Melting Point	139-141 °C
Flash Point	209.4±31.5 °C
Density	1.5±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

209.4±31.5 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.