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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) | CAS No. 188416-20-8

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

Basic Information

Chemical_Structure_Of
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CAS Number

188416-20-8

Molecular Formula

C16H14Cl2F3N5O

Molecular Weight

420.22 g/mol

AD

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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

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.Cl

InChI

InChI=1S/C16H13ClF3N5O.ClH/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;1H

InChIKey

ISUMRMYBGZGUMY-UHFFFAOYSA-N

LogP

3.252100000000002

Topological Polar Surface Area

76.72 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

481

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • AC-9025
  • BS-49583
  • 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-olhydrochloride
  • CS-0449372
  • 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol--hydrogen chloride (1/1)
  • 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol HCl
  • 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2 pound not4-difluorophenyl)-1-(1H-1 pound not2 pound not4-triazol-1-yl)butan-2-ol hydrochloride
  • 3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
  • 4-Pyrimidineethanol, 6-chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)
  • AKOS015900093
  • BCP15216
  • EC 639-694-0
  • F87220
  • A24990
  • 3-(6-CHLORO-5-FLUOROPYRIMIDIN-4-YL)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL HYDROCHLORIDE
  • NS00078503
  • (alphaR,betaR)-rel-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • 3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1)
  • FT-0686734
  • 3-(6-Chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluoro-phenyl)-1-[1,2,4]triazol-1-yl-butan-2-ol; hydrochloride
  • 188416-20-8
  • DTXSID70677465
  • 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)-1-(1,2,4-triazol-1-yl)butan-2-ol,hydrochloride
  • Voriconazole Intermediate III
  • 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-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol Hydrochloride
  • 2S,3R)-3-(5-FLUORO -6-CHLORO-4-PYRIMIDINYL) -2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-2-BUTANOL HYDROCHL...
  • Voriconazole PI-5
  • -2-(2,4-difluorophenyl)
  • butan-2-ol hydrochloride

MDL Number

MFCD11113103

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 hydrochloride (CAS: 188416-20-8)?
This compound is subject to various regulatory guidelines including GHS classification for hazardous substances, REACH regulations in the European Union, and FDA/EPA requirements for chemical substances used in pharmaceuticals and environmental safety. Manufacturers and importers must comply with these regulations for proper labeling, storage, and handling.

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 hydrochloride (CAS: 188416-20-8) in synthesis?
Alternative reagents such as 5-fluoro-6-chloro-4-pyrimidinyl derivatives and substituted triazoles can be used as alternatives. Isomers and analogs like 4-chloro-5-fluoro-6-pyrimidinyl derivatives can also be explored depending on the specific synthetic pathway requirements.

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 hydrochloride (CAS: 188416-20-8)?
The market trend for this compound is growing due to its potential applications in pharmaceuticals, particularly as an intermediate in drug synthesis. Research trends focus on its anti-tumor and anti-inflammatory properties, with increasing interest in its use as a novel therapeutic agent. Price trends indicate steady demand with minor fluctuations based on production costs and market supply.

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 hydrochloride (CAS: 188416-20-8) be handled?
Waste containing this compound should be collected in appropriate containers, labeled as hazardous, and disposed of through professional waste management services. Incineration or chemical treatment methods are commonly used for safe disposal. Environmental precautions include ensuring no leakage and proper containment to prevent soil and water contamination.

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Supplier Information

3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — ShangHaiJiZhiShengHua Technology Co Ltd

ShangHaiJiZhiShengHua Technology Co Ltd

CAS Number: 188416-20-8

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Nantong Haiqing Pharmaceutical Technology Co., Ltd.

CAS Number: 188416-20-8

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BeiJingLianBenYiYaoHuaXueJiShu Co Ltd

CAS Number: 188416-20-8

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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 188416-20-8

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Shanghai Hansi Chemical Co., Ltd.

CAS Number: 188416-20-8

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HuBeiJuSheng Technology Co Ltd

CAS Number: 188416-20-8

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WuHanDongKangYuan Technology Co Ltd

CAS Number: 188416-20-8

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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — Hubei Dahao Chemical Co., Ltd.

Hubei Dahao Chemical Co., Ltd.

CAS Number: 188416-20-8

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HuBeiXinKangYiYao Chemical Co Ltd

CAS Number: 188416-20-8

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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — HuBeiJiFeiYiYao Chemical Co Ltd

HuBeiJiFeiYiYao Chemical Co Ltd

CAS Number: 188416-20-8

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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 188416-20-8

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ShangHaiPiaoYiHuaXue Technology Co Ltd

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LaiBo （ ShangHai ） ShengHua Technology Co Ltd

CAS Number: 188416-20-8

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3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) — TianMenHengChang Chemical Co Ltd

TianMenHengChang Chemical Co Ltd

CAS Number: 188416-20-8

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Nantong Zhonghe Chemical New Materials Co., Ltd.

CAS Number: 188416-20-8

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