Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate

Basic Information

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CAS Number

74223-64-6

Molecular Formula

C14H15N5O6S

Molecular Weight

381.37 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

158 ºC

Boiling Point

181°C (rough estimate)

Density

1.473

Flash Point

345.2 °C

Refractive Index

1.594

SMILES

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Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC

InChI

InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)

InChIKey

RSMUVYRMZCOLBH-UHFFFAOYSA-N

LogP

0.4856199999999998

Topological Polar Surface Area

149.46999999999997 Å²

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

609

Safety Information

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GHS Hazard Pictograms

H225

H319

H336

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Toxicity

LD50 in male and female rats, in male and female rabbits (mg/kg): >5000, >2000 orally; LC50 (96 hour) in American perch, rainbow trout: 150 ppm; LD50 in wild ducks: 2510 mg/kg (Lefebvre)

Synonyms & References

English

Metsulfuron methyl
2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester
Metsulfuron Me
DPX-T6376
Escort
Gropper
methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate
Metsulfuron-methyl
Metsulfuron-methyl solution
Metsulfuronmethyl Solution
2-Methoxy-4-nitroaniline
C14H15N5O6S
methyl 2-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)benzoate
methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
Metsul
Methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate

MDL Number

MFCD00128061

Customs Code

2935009011

FAQ

What is Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6)?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate is a synthetic organic compound with the CAS number 74223-64-6. It contains a triazinyl group functionalized with carbamoyl and sulfamoyl moieties, attached to a benzoate ring. This compound is known for its structural complexity and potential applications in chemical research and pharmaceutical development.

What are the main uses of Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6)?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6) is primarily used in pharmaceutical research as a potential intermediate for drug development. It may also find applications in agrochemicals and as a building block in organic synthesis due to its versatile functional groups and structural features.

Is Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6) safe?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6) is generally considered safe when handled properly. However, it should be used with caution, as it may cause mild irritation to the skin or eyes. Safety measures include wearing protective gloves, goggles, and ensuring proper ventilation. Always follow standard chemical safety protocols when working with this compound.

How should Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6) be stored?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate (CAS: 74223-64-6) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. Proper storage ensures stability and minimizes the risk of degradation or contamination.