Basic information Safety Supplier Related

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid

Basic information Safety Supplier Related

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid Basic information

Product Name:
4-Methyl-1,2,3-thiadiazole-5-carboxylic acid
Synonyms:
  • TIMTEC-BB SBB005418
  • BUTTPARK 30\06-41
  • IFLAB-BB F2630-0005
  • OTAVA-BB BB7020410078
  • 4-Methyl-1,2,3-Thiadiazole-5-C
  • 4-METHYL-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID
  • 4-METHYL-1,2,3-THIODIAZOLE-5-CARBOXYLIC ACID
  • LABOTEST-BB LT00453848
CAS:
18212-21-0
MF:
C4H4N2O2S
MW:
144.15
Product Categories:
  • Nitrogen cyclic compounds
  • Chemical Synthesis
  • Heterocyclic Building Blocks
  • Heterocyclic Building BlocksBuilding Blocks
  • New Products for Chemical Synthesis
  • Thiadiazoles
Mol File:
18212-21-0.mol
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4-Methyl-1,2,3-thiadiazole-5-carboxylic acid Chemical Properties

Melting point:
169-173 °C (D)
Boiling point:
315.2±34.0 °C(Predicted)
Density 
1.530±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
Aqueous Base (Slightly), DMSO
form 
Solid
pka
1.33±0.37(Predicted)
color 
Off-White
InChI
1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)
InChIKey
NHHQOYLPBUYHQU-UHFFFAOYSA-N
SMILES
Cc1nnsc1C(O)=O
CAS DataBase Reference
18212-21-0(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39-37/39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29349990
Storage Class
11 - Combustible Solids

MSDS

  • Language:English Provider:ALFA
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4-Methyl-1,2,3-thiadiazole-5-carboxylic acid Usage And Synthesis

Chemical Properties

white to light yellow crystal powde

Uses

4-Methyl-1,2,3-thiadiazole-5-carboxylic Acid can be used as agrochemical antiviral agents, fungicides, and insecticides.

Synthesis

To a methanolic solution of sodium hydroxide (3 mol/L, 80 mL) was added ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (34.4 g, 0.15 mol) in one portion and the resulting mixture was then stirred for 12 hours at room temperature. Methanol was then removed by vacuum distillation and the remaining sodium salt was dissolved in purified water (200 mL) and acidified with dilute hydrochloric acid, adjusting the pH to 2-3 and then stirred and filtered for one hour, after which the solids were washed with n-hexane to give the product as a white solid (27.1 g) in 94% yield. mp168-170.1H NMR (300 MHz, CDCl3): ??2.86 ( s,3H,CH3-C-N). .

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