6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole

Basic Information

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CAS Number

68786-66-3

Molecular Formula

C14H9Cl3N2OS

Molecular Weight

359.66 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 Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

174-176°C

Boiling Point

495.9°C at 760 mmHg

Density

1.3875 (rough estimate)

Flash Point

253.7oC

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)

InChIKey

NQPDXQQQCQDHHW-UHFFFAOYSA-N

LogP

6.037300000000002

Topological Polar Surface Area

37.91 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

365

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

Stability

Synonyms & References

English

AB00639964-10
HMS3393E16
AC-7627
Z3069281092
BDBM58491
Triclabendazol [INN-Spanish]
TRICLABENDAZOLE [WHO-DD]
DB12245
Pharmakon1600-01505786
HY-B0621
AT10531
HMS2232D14
Triclabendazol (INN-Spanish)
Triclabendazolum [INN-Latin]
DTXCID5023952
TRICLABENDAZOLE [MART.]
SR-01000759363-4
CCRIS 8988
D07364
NQPDXQQQCQDHHW-UHFFFAOYSA-N
CHEMBL1086440
68786-66-3
5-Chloro-6-(2',3'-dichlorophenoxy)-2-(methylthio)benzimidazole
KS-5329
Q419739
NSC-759250
AB00639964_13
FT-0602564
6-chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole
Triclabendazole for system suitability, EuropePharmacopoeia (EP) Reference Standard
Egaten (TN)

MDL Number

MFCD00864519

Customs Code

2933990090

FAQ

What is 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3)?

6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) is an organic compound containing a benzimidazole ring with substituents. It has a chemical formula of C13H9Cl4NOS and exhibits moderate solubility in organic solvents. The compound is known for its potential applications in medicinal chemistry due to its structural complexity and functional groups.

What are the main uses of 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3)?

6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) is primarily used in pharmaceutical research as a potential lead compound for drug development. It may also find applications in agrochemicals and as an intermediate in organic synthesis. Its unique structure makes it relevant for studies involving biological activity and chemical reactivity.

Is 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) safe?

The safety of 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) depends on its usage. It is generally considered to have moderate toxicity and should be handled with care. Protective measures such as gloves, goggles, and a fume hood are recommended. Always follow safety guidelines and regulatory standards when working with this compound.

How should 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) be stored?

6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole (CAS: 68786-66-3) should be stored in a cool, dry place away from light. It is best kept in a sealed container at a temperature below 25°C and in low humidity conditions. Avoid exposure to moisture and incompatible substances to ensure stability and prolong shelf life.