1H-Benzimidazole-5-carboxylic acid

Basic Information

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CAS Number

15788-16-6

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 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

Physical State

Powder

Melting Point

>300 °C

Boiling Point

288.82°C (rough estimate)

Flash Point

281.9℃

Refractive Index

1.5770 (estimate)

SMILES

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C1=CC2=C(C=C1C(=O)O)NC=N2

InChI

InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

InChIKey

COYPLDIXZODDDL-UHFFFAOYSA-N

LogP

1.2610999999999999

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

196

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

DTXSID70332648
F1791-0906
3H-benzo[d]imidazole-5-carboxylicacid
Benzimidazol-5-carboxylic acid
1H-Benzimadazole-5-carboxylic acid
AKOS000119390
1H-1,3-benzodiazole-6-carboxylic acid
FS-2574
1H-BENZOIMIDAZOLE-6-CARBOXYLIC ACID
SCHEMBL5946
5-Benzimidazolecarboxylic acid
CS-W002064
SY002468
CL3437
5-benzimidazole-carboxylic acid
BDBM50017194
HY-W002064
AKOS000267818
1H-Benzimidazole-5-carboxylic acid
3H-benzoimidazole-5-carboxylic acid
15788-16-6
NCGC00337578-01
3H-benzo[d]imidazole-5-carboxylic acid
FT-0620037
EN300-17352
BB 0258867
1H-1,3-Benzodiazole-5-Carboxylic Acid
1H-benzo[d]imidazole-5-carboxylicacid
NS00120781
1H-Benzoimidazole-5-carboxylic acid
AM20050363

MDL Number

MFCD00011555

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6)?

1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a hazardous chemical. In Europe, it falls under REACH regulations, which require manufacturers and importers to register substances if they have a tonnage threshold of one ton per year. For the U.S., the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific regulations concerning its use and handling in pharmaceuticals and consumer products.

Are there alternatives to 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6) in synthesis?

Yes, there are alternative reagents that can be used in the synthesis of 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6). For instance, 1H-Benzimidazole-2-carboxylic acid can serve as a similar scaffold. Other possible alternatives include various aromatic amines and carboxylic acids that can be used in analogous reactions to achieve similar functionalities.

What is the market or research trend for 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6)?

The market for 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6) is growing due to its application in pharmaceuticals and agrochemicals. Research trends indicate an increasing interest in its use as an antifungal agent and as a component in crop protection products. Emerging studies are also exploring its potential in antimicrobial and antiviral applications.

How should waste containing 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6) be handled?

Waste containing 1H-Benzimidazole-5-carboxylic acid (CAS: 15788-16-6) should be collected in appropriate containers labeled with the nature of the waste. It is recommended to neutralize the waste with an appropriate base before disposal to minimize environmental impact. Professional waste disposal services should be used for incineration or other environmentally friendly methods. Ensure that all handling and disposal procedures comply with local and national regulations to protect human health and the environment.