Product Name

  • Name

    N-Trichloromethylthiobenzothiazolone

  • EINECS
  • CAS No. 3567-79-1
  • Density 1.76g/cm3
  • Solubility
  • Melting Point
  • Formula C8H4 Cl3 N O S2
  • Boiling Point 334.2°Cat760mmHg
  • Molecular Weight 300.60
  • Flash Point 155.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3567-79-1 (N-Trichloromethylthiobenzothiazolone)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms 2-Benzothiazolinone,3-[(trichloromethyl)thio]- (7CI,8CI); 3-[(Trichloromethyl)thio]benzothiazolone;RP 11670
  • PSA
  • LogP

Trichloromethylthio-3-benzothiazolone Chemical Properties

IUPAC Name: 3-(Trichloromethylsulfanyl)-1,3-benzothiazol-2-one
Synonyms of Trichloromethylthio-3-benzothiazolone (CAS NO.3567-79-1): N-Trichloromethylthiobenzothiazolone ; 2(3H)-Benzothiazolone, 3-((trichloromethyl)thio)-(9CI) ; Benzothiazol-2-one, 3-trichloromethylthio-
CAS NO: 3567-79-1
Molecular Formula: C8H4Cl3NOS2
Molecular Weight: 300.6125
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 70.91 Å2
Index of Refraction: 1.735
Molar Refractivity: 68.49 cm3
Molar Volume: 170.6 cm3
Surface Tension: 74.8 dyne/cm
Density: 1.76 g/cm3
Flash Point: 155.9 °C
Enthalpy of Vaporization: 57.71 kJ/mol
Boiling Point: 334.2 °C at 760 mmHg
Vapour Pressure: 0.00013 mmHg at 25°C
SMILES: ClC(Cl)(Cl)SN1c2ccccc2SC1=O
InChI: InChI=1/C8H4Cl3NOS2/c9-8(10,11)15-12-5-3-1-2-4-6(5)14-7(12)13/h1-4H
InChIKey: MKPFMPWXGYOEPF-UHFFFAOYAV
Std. InChI: InChI=1S/C8H4Cl3NOS2/c9-8(10,11)15-12-5-3-1-2-4-6(5)14-7(12)13/h1-4H
Std. InChIKey: MKPFMPWXGYOEPF-UHFFFAOYSA-N

Trichloromethylthio-3-benzothiazolone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3350mg/kg (3350mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 377, 1969.

Trichloromethylthio-3-benzothiazolone Safety Profile

Moderately toxic by ingestion. When Trichloromethylthio-3-benzothiazolone (CAS NO.3567-79-1) is heated to decomposition, it emits toxic vapors of NOx, SOx, and Cl−.

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