Efavirenz | CAS No. 154598-52-4

Efavirenz

Basic Information

CAS Number

154598-52-4

Molecular Formula

C14H9ClF3NO2

Molecular Weight

265.62 g/mol

AD

Basic Physical Properties

Melting Point

135 °C

Boiling Point

422.7±55.0℃ at 760 mmHg

Density

1.53

Flash Point

2℃

Solubility

DMSO: soluble15mg/mL, clear

Refractive Index

1.58

Specific Rotation

-86.0 - -96.0° (c=1, MeOH)

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C10H7ClF3NO2/c1-9(10(12,13)14)6-4-5(11)2-3-7(6)15-8(16)17-9/h2-4H,1H3,(H,15,16)/t9-/m0/s1

InChIKey

FKJUYZPFOJIRIG-VIFPVBQESA-N

LogP

3.6796000000000015

pKa

10.2(at 25℃)

Topological Polar Surface Area

38.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

519

Safety Information

View Safety Information

GHS Hazard Pictograms

H400H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

  • EFV & Interferon lambda-2
  • AB00639956-08
  • DB00625
  • (Rac)-DMP 266; (Rac)-EFV; (Rac)-L-743726
  • CCG-101011
  • L-743726
  • EFAVIRENZ [HSDB]
  • Efavirenz [USP:INN:BAN]
  • AC-25006
  • D00896
  • AKOS015894951
  • AB21723
  • (s)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
  • EFAVIRENZUM [WHO-IP LATIN]
  • BC164402
  • Efavirenz & IFNL3
  • EFV & IFNL2
  • EFV & Interferon lambda-3
  • efavirenz
  • MLS000759465
  • Efavirenz (JAN/USP/INN)
  • HY-10572
  • HSDB 7163
  • CHEBI:119486
  • EFAVIRENZ [JAN]
  • (S)-6-chloro-4-(Cyclopropylethynyl)-1,4-dihydro-(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
  • UNII-JE6H2O27P8
  • ATRIPLA COMPONENT EFAVIRENZ
  • DMP 266
  • 1ikv
  • EN300-219935

MDL Number

MFCD05662344

Customs Code

2942000000

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