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| CAS No.: | 205754-50-3 |
|---|---|
| Name: | rac 7-Hydroxy Efavirenz |
| Molecular Structure: | |
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| Formula: | C14H9 Cl F3 N O3 |
| Molecular Weight: | 331.67 |
| Synonyms: | 2H-3,1-Benzoxazin-2-one,6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-(9CI) |
| Density: | 1.64g/cm3 |
| Melting Point: | 181-185°C |
| Boiling Point: | 371.5°C at 760 mmHg |
| Flash Point: | 178.5°C |
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Chemistry
Molecular Structure of rac 7-Hydroxy Efavirenz (CAS No.205754-50-3):
Molecular Formula: C14H9ClF3NO3
Molecular Weight: 331.6744
CAS No: 205754-50-3
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 38.77 Å2
Index of Refraction: 1.608
Molar Refractivity: 69.93 cm3
Molar Volume: 202.2 cm3
Surface Tension: 60.8 dyne/cm
Density: 1.64 g/cm3
Flash Point: 178.5 °C
Enthalpy of Vaporization: 64.28 kJ/mol
Boiling Point: 371.5 °C at 760 mmHg
Vapour Pressure: 4.81E-06 mmHg at 25°C
InChI: InChI=1/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)
InChIKey: GZMDZAYFVCXHFM-UHFFFAOYAF
Std. InChI: InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)
Std. InChIKey: GZMDZAYFVCXHFM-UHFFFAOYSA-N
Systematic Name: 6-Chloro-4-(cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Product Categories: Anti-viral Compounds;Anti-virals;Intermediates Fine Chemicals;Metabolites Impurities;Non-nucleoside Reverse Transcriptase;Pharmaceuticals
Specification
rac 7-Hydroxy Efavirenz (CAS No.205754-50-3), its synonyms are 6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one ; 2H-3,1-benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)- ; 6-Chloro-4-(cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one .