Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate

Basic Information

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CAS Number

100784-20-1

Molecular Formula

C13H15ClN6O7S

Molecular Weight

434.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

172.0 to 176.0 deg-C

Boiling Point

°Cat760mmHg

Refractive Index

1.663

SMILES

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COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl

InChI

InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)

InChIKey

FMGZEUWROYGLAY-UHFFFAOYSA-N

LogP

0.1777000000000002

Topological Polar Surface Area

163.62999999999997 Å²

Hydrogen Bond Donor/Acceptor

2 / 13

Complexity

665

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 orally in rats: 8865 mg/kg; dermally in rabbits: >2000 mg/kg; LC50 (4 hr) in rats: >4.3 mg/l (Suzuki)

Synonyms & References

English

Halosulfuron methyl
3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid, methyl ester
Battalion
halosulfuron
Methyl 3-chloro-5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate
MON 12000
NC-319
Permit
Pyrazole-4-carboxylic acid, 3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-,methyl ester
Halosulfuron-methyl
1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl] amino] sulfonyl]-1- methyl-, methyl ester
Halosulfuron-methyl Solution
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
methyl 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate
methyl 3-chloro-5-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate
3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester
Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate
Methyl 3-chloro-5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-meth
Inpool
Sempra
SEMPRA(R)
PERMIT(R)
MANAGE(R)
3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
sulfamoyl)
Sandea
Manage
Permit 75WG
Halosulfuron-methyl [ISO:BSI]
NC 319
MON 12037

MDL Number

MFCD07369918

FAQ

What is Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1)?

Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1) is a complex organic compound containing a pyrazole ring with multiple functional groups. It has a molecular formula of C16H18ClN5O8 and is typically a solid at room temperature. This compound exhibits good solubility in polar solvents and is known for its potential applications in medicinal chemistry due to its structural features that may contribute to biological activity.

What are the main uses of Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It may be relevant in the design of antiviral or anti-inflammatory agents due to its pyrazole and sulfamoyl groups. It is also used in organic synthesis and as an intermediate in the production of various chemical compounds. Its applications span across medicinal chemistry and chemical research fields.

Is Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1) safe?

The safety of Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1) depends on its specific use and exposure conditions. As a chemical compound, it is generally considered safe when handled properly in controlled laboratory settings. However, standard safety precautions such as wearing gloves, goggles, and a lab coat are recommended. It should be stored in a secure location away from incompatible materials to ensure safety.

How should Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1) be stored?

Methyl 3-chloro-5-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-1-methyl-1H-pyrazole-4-carboxylate (CAS: 100784-20-1) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain its stability and prevent degradation. Always follow proper chemical storage guidelines to ensure safety and longevity.