2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide

Basic Information

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CAS Number

64902-72-3

Molecular Formula

C12H12ClN5O4S

Molecular Weight

357.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

174-178 ºC

Boiling Point

563

Density

1.6111 (rough estimate)

Refractive Index

1.5630 (estimate)

SMILES

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O=S(C1=CC=CC=C1Cl)(NC(NC2=NC(OC)=NC(C)=N2)=O)=O

InChI

InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)

InChIKey

VJYIFXVZLXQVHO-UHFFFAOYSA-N

LogP

1.3524199999999997

Topological Polar Surface Area

123.16999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

514

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 in male, female rats (mg/kg): 5545, 6293 orally (Levitt)

Synonyms & References

English

Chlorsulfuron
2-Chloro-N(((4-methoxy-6-methyl-1,3,5-triazin-2-yl) amino)carbonyl)benzenesulfonamide
2-chloro-n-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulfonamide
2-chlorsulfuron
dpx 4189
glean
telar
Chlorosulfuron
Chlorsulfuron Solution
Chlorsulfuron Standard
1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
2-chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide
ALMURON
Clean
finesse
gleanc
LASHER
onamide
PRESS
W-4189
Carboxin

MDL Number

MFCD00128059

Customs Code

2935009011

FAQ

What are the physical and chemical properties of 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide (CAS: 64902-72-3)?

2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide is a white crystalline solid with a molecular weight of approximately 419.95 g/mol. It has a low water solubility and is moderately soluble in organic solvents. This compound is reactive towards nucleophiles and exhibits poor stability under basic conditions. It is used as an intermediate in organic synthesis.

How is 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide (CAS: 64902-72-3) typically synthesized?

2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide is synthesized through a multistep process involving the coupling of 2-chlorobenzenesulfonamide with 4-methoxy-6-methyl-1,3,5-triazine. The reaction is typically performed in the presence of a base, such as potassium carbonate, and an organic solvent like N,N-dimethylformamide (DMF). The yield is moderate, and the reaction requires precise control of temperature and reagent ratios.

What industries use 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide (CAS: 64902-72-3)?

2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various bioactive compounds. It also finds applications in the polymer industry for the development of functional materials and in the sensor industry for the fabrication of chemical sensors due to its reactivity and stability.

What precautions should be taken when handling 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide (CAS: 64902-72-3)?

When handling 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its reactivity. Spills should be cleaned up promptly, and the area should be thoroughly decontaminated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.