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Home> Hot Product Listed 2   > (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride
791-28-6 structure

(2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride

Iupac Name:diphenylphosphorylbenzene
CAS No.:791-28-6
EINECS(EC#): 1312995-182-4
Molecular Weight:278.28500
Molecular Formula:C7H4BRFO (isomer)
Names and Identifiers
Synonyms

(2R,3S/2S,3R)-3-(4-CHLORO-5-FLUORO PYRIMIDIN-6-YL)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL) (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1- (1H- (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride (2R,3S/2S,3R)-3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol Hydrochloride (2R,3S/2S,3R)3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride (2R,3S/2S,3R)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (2S,3R)-3-(6-chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol hydrochloride (2S,3R)-3-(6-chloro-5-fluoropyriMidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride 3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol 4-PyriMidineethanol, 6-chloro-a-(2,4-difluorophenyl)-5-fluoro-b-Methyl-a-(1H-1,2,4-triazol-1-ylMethyl)- 6-Chloro Voriconazole AX8019057 N-2 Voriconazole (RR,SS)-6-Chloro IMpurity Voriconazole (RS,SR)-6-Chloro Impurity

Inchi
InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChkey
FIQMHBFVRAXMOP-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
Properties
Density
1.343
Melting Point
150-157°C(lit.)
Boiling Point
447.7 °C at 760 mmHg
Refractive Index
1.619
Flash Point
115.189 °C
HS Code
29310095
Storage temp
Refrigerator
Safety and Handling
Risk Statements
R22; R52/53
Safety Statements
S26-S61
HazardClass
6.1
PackingGroup
I; II; III
Specification

 (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride (CAS NO.188416-35-5), its Synonyms are (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1- (1H- ; (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol- 1-yl)-2- butanol hydrochloride ; (2R,3S/2S,3R)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol- 1-yl)-2- butanol hydrochloride .

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:278.28500g/mol
  • Molecular Formula:C7H4BRFO
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:278.086
  • Monoisotopic Mass:278.086
  • Complexity:281
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB4IAIAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGAgAACAACACAEAAwAIAAACCA QCBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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