1-Ethyl-1H-benzimidazole-2-sulfonic acid

Basic Information

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CAS Number

90331-19-4

Molecular Formula

C9H10N2O3S

Molecular Weight

226.26 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

SMILES

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CCN1C2=CC=CC=C2N=C1S(=O)(=O)O

InChI

InChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)

InChIKey

CPFYRNMZRZTXRQ-UHFFFAOYSA-N

LogP

1.3029000000000002

Topological Polar Surface Area

72.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

325

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL1520616
1-ethylbenzimidazole-2-sulfonic acid
AKOS000275325
1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
1-Ethyl-1H-benzoimidazole-2-sulfonic acid
A916553
DTXSID00378256
EN300-36572
MFCD00458807
F0783-0063
HMS2749J05
1-ethyl-1H-benzo[d]imidazole-2-sulfonic acid
1-ethyl-2-benzimidazolesulfonic acid
90331-19-4
1-ethyl-1H-benzimidazole-2-sulfonic acid
1-Aethyl-2-benzimidazolsulfonsaeure
SMR000277745
BB 0219604
BDBM63418
Z57085735
cid_2772526
MLS000716228
CHEMBL1529423
1-ETHYL-1H-1,3-BENZIMIDAZOLE-2-SULFONIC ACID
LS-05785
1-ethyl-1H-benzo[d]imidazole-2-sulfonicacid
1H-Benzimidazole-2-sulfonic acid, 1-ethyl-
1-Ethyl-1H-benzimidazole-2-sulfonic acid

MDL Number

MFCD00458807

FAQ

What are the physical and chemical properties of 1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4)?

1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4) is a crystalline solid with a molecular weight of approximately 220.24 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol. The compound is stable under normal conditions but may react with strong bases and acids. It is commonly used in pharmaceuticals and sensors due to its chemical stability and functional groups.

How is 1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4) typically synthesized?

1-Ethyl-1H-benzimidazole-2-sulfonic acid is typically synthesized by the reaction of 1-ethylbenzimidazole with sulfur trioxide (SO3) in a suitable solvent. The reaction involves the generation of the corresponding sulfonic acid derivative. Common solvents include acetonitrile or methanol. The yield is generally high, and the reaction is performed under mild conditions to ensure selectivity and avoid over-acidification.

What industries use 1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4)?

1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4) is primarily used in the pharmaceutical industry for the synthesis of various drugs and in the sensor industry for developing pH sensors and other electrochemical sensors. It is also utilized in the polymer industry for certain types of functional polymers.

What precautions should be taken when handling 1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4)?

When handling 1-Ethyl-1H-benzimidazole-2-sulfonic acid (CAS: 90331-19-4), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of any vapor. In case of a spill, neutralize the acid with a base and collect the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.