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6112-39-6

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Basic Information
CAS No.: 6112-39-6
Name: 3-methylbenzothiazolium toluene-4-sulphonate
Molecular Structure:
Molecular Structure of 6112-39-6 (3-methylbenzothiazolium toluene-4-sulphonate)
Formula: C15H15NO3S2
Molecular Weight: 321.4145
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;
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 97.70000
LogP: 3.70570
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Chemistry

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

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,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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