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3567-79-1

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

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    3567-79-1

    2(3H)-Benzothiazolone,3-[(trichloromethyl)thio]-

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

  •  Shandong Mopai Biotechnology Co., LTD

    China (Mainland)  |  Contact Details

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    Address:shandong

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  • 2(3H)-Benzothiazolone,3-[(trichloromethyl)thio]-

  • Casno:

    3567-79-1

    2(3H)-Benzothiazolone,3-[(trichloromethyl)thio]-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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    China (Mainland)  |  Contact Details

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    Tel:0086-21-50563169

    Address:Room1027,No.Jinyu Road,Pudong

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Chemistry

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

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.

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.