5-(difluoromethoxy)-1H-benzimidazole-2-thiol

Basic Information

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CAS Number

97963-62-7

Molecular Formula

C8H6F2N2OS

Molecular Weight

216.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

239-243 °C

Boiling Point

303.5 °C at 760 mmHg

Density

1.858

Flash Point

137.3 °C

Refractive Index

1.63

SMILES

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C1=CC2=C(C=C1OC(F)F)NC(=S)N2

InChI

InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)

InChIKey

HJMVPNAZPFZXCP-UHFFFAOYSA-N

LogP

2.4530000000000003

Topological Polar Surface Area

37.91 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

239

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE
5-(Difluoromethoxy)-2-mercaptobenzimidazole
5-(Difluoromethoxy)-2-Benzimidazolethiol
5-(Difluoromethoxy)-1H-benzimidazole-2-thiol
5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-ENZIMIDAZOLE
2-sulfhydryl-5-(difluorinemethoxy)benzimidazole
5-(DifluoroMethoxy)
5-(Difluoromethoxy)-2-mercapto-1H
5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZI
5-Difluoro
5-Difluoromethoxy-2-mercapto-1H-benzimidazole
5-DIFLUOROMETHOXY-2-THIO-BENZIMIDAZOLE
BUTTPARK 163-28
Difluoromethoxy thio benzimidazole
Pantoprazole Re
Pantoprazole Related CoMpound C
5-Difluoromethoxy-2-mecapto-1H-benzimidazole
5-(Difluoromethoxy)-2-mercapto-1H-
5-Difluormethoxy-2-Mercapto-1H-Benzinmidazole
5-Difluromethoxy-2-Mercapto-1H-Benzimidazole
2-Mercapto-5-difluoromethoxy benzimidazole
5-Difluoromethoxy-1H-benzoimidazole-2-thiol
5-Difuormethoxy-2-mercapto-1-H-benzinmidazole
5-(Difluoromethoxy)-2-mercapto benzimidazole
5-Difluoromethoxy-2- mercapto-1H-benzimidazole
5-(Difluoromethoxy)-1,3-dihydro-2H-benzimidazole-2-thione (ACI)
2-Mercapto-5-difluoromethoxy-1H-benzimidazole
5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
5-Difluoromethoxy-2-mercaptobenzimidazole
SKA 47

MDL Number

MFCD00467504

Customs Code

2933990090

FAQ

What is 5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7)?

5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) is a sulfur-containing organic compound with a benzimidazole ring substituted by a difluoromethoxy group at the 5-position and a thiol group at the 2-position. Its chemical formula is C8H6F2N2OS, and it exhibits characteristic properties of benzimidazoles, including potential reactivity due to the thiol functional group. The compound is commonly used as an intermediate in chemical synthesis.

What are the main uses of 5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7)?

5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) is primarily utilized in pharmaceutical research for the development of drugs targeting specific biological pathways. It serves as a key intermediate in the synthesis of compounds with potential applications in antifungal, antimicrobial, and antiparasitic agents. Additionally, it is employed in chemical research for its reactivity in functional group modifications.

Is 5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) safe?

Safety of 5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) requires adherence to standard chemical handling protocols. It may pose toxicity risks, including skin and eye irritation, due to its thiol group. Protective measures such as gloves, goggles, and proper ventilation are essential during use. Always follow safety guidelines for handling hazardous substances with CAS number 97963-62-7.

How should 5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) be stored?

5-(difluoromethoxy)-1H-benzimidazole-2-thiol (CAS: 97963-62-7) should be stored in a cool, dry, and dark environment to maintain stability. It is recommended to keep it in a sealed container, preferably glass or metal, to prevent moisture exposure. Storage at 2-8°C is optimal, and it should be protected from light and air to avoid degradation.