Product Name

  • Name

    3-methylbenzothiazolium toluene-4-sulphonate

  • EINECS
  • CAS No. 6112-39-6
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C15H15NO3S2
  • Boiling Point °Cat760mmHg
  • Molecular Weight 321.4145
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6112-39-6 (3-methylbenzothiazolium toluene-4-sulphonate)
  • Hazard Symbols
  • Synonyms 3-Methylbenzenethiazolium 4-methylbenzenesulfonate;3-Methylbenzothiazolium-p-toluene sulfonate;Benzothiazolium,3-methyl-,salt with 4-methylbenzenesulfonic acid (1:1);3-Methylbenzothiazolium toluene-4-sulphonate;EINECS 228-075-7;BENZOTHIAZOLIUM,3-METHYL-,p-TOLUENESULFONATE;
  • PSA 97.70000
  • LogP 3.70570

3-Methylbenzothiazolium-p-toluene sulfonate Chemical Properties

IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-1,3-benzothiazol-3-ium
Synonyms of 3-Methylbenzothiazolium-p-toluene sulfonate (CAS NO.6112-39-6): 3-Methylbenzenethiazolium 4-methylbenzenesulfonate ; Benzothiazolium, 3-methyl-, p-toluenesulfonate ; Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) ; EINECS 228-075-7 ; 3-Methylbenzothiazolium toluene-4-sulphonate ;  Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
CAS NO: 6112-39-6
Molecular Formula of 3-Methylbenzothiazolium-p-toluene sulfonate (CAS NO.6112-39-6): C15H15NO3S2
Molecular Weight: 321.4145
Molecular Structure:

H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area of 3-Methylbenzothiazolium-p-toluene sulfonate (CAS NO.6112-39-6): 62.75Å2

3-Methylbenzothiazolium-p-toluene sulfonate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo intraperitoneal 800mg/kg (800mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo oral 1600mg/kg (1600mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

3-Methylbenzothiazolium-p-toluene sulfonate Consensus Reports

Reported in EPA TSCA Inventory.

3-Methylbenzothiazolium-p-toluene sulfonate Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.

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