3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Basic Information

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CAS Number

188416-35-5

Molecular Formula

C16H13ClF3N5O

Molecular Weight

383.76 g/mol

EINECS

606-140-4

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

183-187°C

Boiling Point

529.9±60.0 °C(Predicted)

Density

1.51

SMILES

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CC(C1=C(C(=NC=N1)Cl)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/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

InChIKey

BQDLXFABVRRDFU-UHFFFAOYSA-N

LogP

2.8303000000000016

pKa

11.44±0.29(Predicted)

Topological Polar Surface Area

76.72 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Synonyms & References

English

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

MDL Number

MFCD08063925

EC Number

606-140-4

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 188416-35-5)?

This compound is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations for the placement of chemicals on the European market, and FDA and EPA requirements for safety and environmental protection in the USA. It is recommended to consult the specific GHS label and Material Safety Data Sheet (MSDS) for detailed handling and disposal instructions.

Are there alternatives to 3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 188416-35-5) in synthesis?

There are a few alternatives that can be used as starting materials or reagents in synthesis, such as similar pyrimidine derivatives or other triazole-containing compounds. The choice of alternative depends on the specific reaction conditions and desired properties of the final product.

What is the market or research trend for 3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 188416-35-5)?

The market and research trend for this compound indicates increasing interest in its potential applications in pharmaceuticals and agrochemicals due to its structural complexity and biological activity. Research is focusing on understanding its mechanisms and exploring its use in targeted drug delivery systems and crop protection products.

How should waste containing 3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 188416-35-5) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of according to local waste management regulations. It may require specialized incineration or professional waste disposal services to ensure proper handling and environmental protection. Always consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.