Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate

Basic Information

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CAS Number

74222-97-2

Molecular Formula

C15H16N4O5S

Molecular Weight

364.38 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

Basic Physical Properties

Melting Point

203-205 ºC

Boiling Point

197°C (rough estimate)

Density

1.48

Refractive Index

1.6000 (estimate)

SMILES

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COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(n1)C

InChI

InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)

InChIKey

ZDXMLEQEMNLCQG-UHFFFAOYSA-N

LogP

1.39044

pKa

5.7(at 25℃)

Topological Polar Surface Area

127.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

581

Safety Information

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GHS Hazard Pictograms

H319

H332

H400

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Toxicity

LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding)

Synonyms & References

English

Sulfometuron-Methyl
methyl 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfamoyl]benzoate
2-(4,6-dimethylpyrimidin-2-ylcarbamoylsulfamoyl)benzoic acid methyl ester
sulfometuron-me
dpx-t5648
oust 75df
Sulfometuron-methyl soluble powder
Sulfometuron-methyl suspension
methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Sulfometuron methyl
Sulfometuron methyl ester
Sulfometuronmethyl Solution
methyl 2-(4,6-dimethylpyrimidin-2-ylcarbamoylsulfamoyl)benzoate
methyl 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate
methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)ureidosulfonyl]benzoate
methyl 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
2-(4,6-Dimethylpyrimidin-2-ylcarbamoylsulfamoyl)benzoic acid methyl ester
Methyl 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfamoyl]benzoate
Sulfometuron-Me
DPX-T5648
Oust 75DF

MDL Number

MFCD00128060

FAQ

What is Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate (CAS: 74222-97-2)?

Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate is a chemical compound with the CAS number 74222-97-2. It is an organic sulfonamide derivative that contains a pyrimidine ring. This compound is known for its structural complexity and potential applications in various scientific fields, including pharmaceutical research.

What are the main uses of Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate (CAS: 74222-97-2)?

This compound is primarily used in pharmaceutical research as a potential intermediate or scaffold for drug development. It may also find applications in chemical synthesis, bioactive compound screening, and other related scientific studies due to its unique molecular structure and functional groups.

Is Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate (CAS: 74222-97-2) safe?

Safety information for Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate is limited, but as a chemical compound, it should be handled with appropriate personal protective equipment (PPE) to avoid direct contact. It is recommended to follow standard laboratory safety protocols and consult safety data sheets (SDS) for detailed guidelines.

How should Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate (CAS: 74222-97-2) be stored?

Methyl 2-{[(4,6-dimethyl-2-pyrimidinyl)carbamoyl]sulfamoyl}benzoate should be stored in a cool, dry, and dark place, away from moisture and direct light. It is best kept in a sealed container at a temperature below 25°C to maintain stability and prevent degradation.