ChemicalBook CAS DataBase List 137234-75-4

137234-75-4

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
EINECS(EC#)	1312995-182-4
Molecular Formula	C16H13ClF3N5O
MDL Number	MFCD23380215
Molecular Weight	383.76
MOL File	137234-75-4.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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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