5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione

Basic Information

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CAS Number

6325-91-3

Molecular Formula

C7H5N3O2S

Molecular Weight

195.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

274 °C (dec.)

Boiling Point

348.4 °C at 760 mmH

Density

1.4666 (rough estimate)

Flash Point

164.5 °C

Solubility

1 M NaOH: soluble50mg/mL, opaque, dark red

Refractive Index

1.6740 (estimate)

SMILES

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C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)N2

InChI

InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)

InChIKey

YPXQSGWOGQPLQO-UHFFFAOYSA-N

LogP

2.65690

Complexity

253

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

Synonyms & References

English

NSC 31137
5-Nitro-2-benzimidazolethiol
DTXSID7064235
6-nitro-1H-1,3-benzodiazole-2-thiol
Oprea1_137907
A834300
FT-0612749
CHEMBL1726268
Oprea1_044883
AC-8149
2-Mercapto-5-nitrobenzimidazole, 97%
2H-Benzimidazole-2-thione, 1,3-dihydro-5-nitro-
Z56877848
5-Nitro-1H-benzo[d]imidazole-2-thiol
2-Benzimidazolinethione, 5-nitro-
5-Nitro-2-sulphanyl-1H-benzimidazole
HMS3079P08
AKOS015898399
PS-10567
5-Nitro-2-mercaptobenzimidazole
5-nitro-3-hydrobenzimidazole-2-thione
AKOS001584995
AKOS000116381
SCHEMBL594032
SR-01000394332
2-Mercapto-5-nitrobenzimidazole
MLS002639388
W-203353
EN300-03266
6-nitro-1H-benzimidazole-2-thiol
NSC-31137

MDL Number

MFCD00804727

Customs Code

2933990090

FAQ

What is 5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3)?

5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3) is a heterocyclic compound with a benzimidazole ring and a nitro group attached to the nitrogen atom. It is a colorless crystalline solid with a molecular formula of C8H5N3NO2S.

What are the main uses of 5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3)?

5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various medicinal compounds. It is also utilized in the research and development of new drugs and in organic synthesis.

Is 5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3) safe?

5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3) can be safe when handled with proper precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment and working in a well-ventilated area. Inhalation and skin contact should be avoided, and the compound should be stored away from sources of ignition.

How should 5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3) be stored?

5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 6325-91-3) should be stored in a cool, dry place, protected from light and moisture. It should be kept in a tightly sealed container and away from heat and sources of ignition. The storage area should be well-ventilated and accessible only to authorized personnel.