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137234-75-4

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137234-75-4 Structure

137234-75-4 Structure
IdentificationBack Directory
[Name]

4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βS)-rel-
[CAS]

137234-75-4
[Synonyms]

VoricozoleImpurity9
RaceMic Voriconazole
(2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-
(trans)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-me...
3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-butanol
trans-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-di-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)but
trans-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-di-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-
trans-3-(6-Chloro-5-fluoropyriMidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
(2R,3S)-rel-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
(2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (N-1 step)
4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βS)-rel-
(TRANS)-6-CHLORO-ALPHA-(2,4-DIFLUOROPHENYL)-5-FLUORO-BETA-METHYL-ALPHA-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-4-PYRIMIDINEETHANOL
(R*,S*)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol DISCONTINUED
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C16H13ClF3N5O
[MDL Number]

MFCD23380215
[MOL File]

137234-75-4.mol
[Molecular Weight]

383.76
Chemical PropertiesBack Directory
[Boiling point ]

529.9±60.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

11.44±0.29(Predicted)
[InChI]

InChI=1/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3/t9-,16+/s3
[InChIKey]

BQDLXFABVRRDFU-NOJLZLBGNA-N
[SMILES]

[C@@](C1C=CC(F)=CC=1F)(O)(CN1N=CN=C1)[C@H](C1=NC=NC(Cl)=C1F)C |&1:0,16,r|
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301-H360
[Precautionary statements ]

P501-P270-P202-P201-P264-P280-P308+P313-P301+P310+P330-P405
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