4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid

Basic Information

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CAS Number

54-31-9

Molecular Formula

C12H11ClN2O5S

Molecular Weight

330.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

220?°C (dec.)

Boiling Point

582.1°C at 760 mmHg

Water Solubility

Soluble in acetone, DMF or methanol. Slightly soluble in water

Flash Point

11?°C

Refractive Index

1.6580 (estimate)

SMILES

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NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

InChI

InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)

InChIKey

ZZUFCTLCJUWOSV-UHFFFAOYSA-N

LogP

1.8907

Topological Polar Surface Area

122.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

481

Safety Information

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GHS Hazard Pictograms

H360

Hazard Statement

H360 May damage fertility or the unborn child
Reproductive toxicity

Stability

Stable, but light sensitive, air sensitive and hygroscopic. Incompatible with strong oxidizing agents.

Toxicity

LD50 orally in female, male rats: 2600, 2820 mg/kg (Goldenthal)

Synonyms & References

English

Furosemide
5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)benzoic acid
4-chloro-n-furfuryl-5-sulfamoylanthranilic acid
2-furfurylamino-4-chloro-5-sulfamoylbenzoic acid
Furosemide solution
Furosemide,5-(Aminosulfonyl)-4-chloro-2-([2-furanylmethyl]amino)benzoicacid
Frusemide
Lasix
Furanthril
Furosemid
Errolon
Fusid
Frusemin
Trofurit
Rosemide
Fuluvamide
Desdemin
Macasirool
Fursemide
Furantril
Furanthryl
Beronald
Prefemin
Lowpstron
Aisemide
Radonna
Fulsix
Transit
Katlex
Seguril
Furesis

MDL Number

MFCD00010549

Customs Code

2942000000

FAQ

What is 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9)?

4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9) is a sulfonamide derivative with a complex chemical structure. Its molecular formula is C10H10ClN3O4S, featuring a benzoic acid backbone, a sulfamoyl group, and a 2-furylmethylamino substituent. It is a solid at room temperature, soluble in polar solvents, and exhibits functional groups characteristic of pharmaceutical intermediates.

What are the main uses of 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in antibiotics and anti-inflammatory agents. It also finds applications in industrial chemistry for synthesizing dyes and pesticides. Its unique structure makes it valuable in chemical studies involving sulfonamide and heterocyclic functionalities.

Is 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9) safe?

Safety of 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9) depends on handling conditions. It is considered a chemical hazard with potential toxicity; prolonged exposure may cause irritation. Use appropriate protective gear, ensure proper ventilation, and follow OSHA guidelines for safe handling and disposal.

How should 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9) be stored?

Store 4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid (CAS: 54-31-9) in a cool, dry place (ideally below 25°C), away from light and moisture. Use airtight containers to maintain stability and prevent degradation. Avoid exposure to high humidity and incompatible materials to ensure long-term preservation.