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HomeProduct name list2,6-Dichlorothiobenzamide

2,6-Dichlorothiobenzamide

Synonym(s):2,6-Dichlorobenzenecarbothioamide;2,6-Dichlorothiobenzamide

  • CAS NO.:1918-13-4
  • Empirical Formula: C7H5Cl2NS
  • Molecular Weight: 206.09
  • MDL number: MFCD00053523
  • EINECS: 217-637-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-05-04 17:34:35
2,6-Dichlorothiobenzamide Structural

What is 2,6-Dichlorothiobenzamide?

Definition

ChEBI: 2,6-dichlorothiobenzamide is a dichlorobenzene and a thiocarboxamide. It has a role as a proherbicide and an agrochemical.

Safety Profile

Poison by ingestion and intraperitoneal route. Moderately toxic by skin contact. Mutation data reported. An herbicide. When heated to decomposition it emits very toxic fumes of Cl-, NOx, and sox.

Metabolic pathway

Twelve metabolites are isolated from either urine or bile from either rats (11 metabolites) or goats (seven metabolites) given single oral doses of 14C-labeled 2,6-dichlorobenzonitrile (DCBN). Five of these metabolites are also excreted in urine from rats dosed orally with 2,6-dichlorothiobenzamide (DCTBA) which is an acid amide analog. All metabolites from either DCBN or DCTBA are benzonitriles with the following ring substituents: Cl2, OH (three isomers); Cl2, (OH)2; Cl, (OH)2; Cl, OH, SH; Cl, OH, SCH3; SOCH3, OH; Cl2, S-(N-acetyl)cysteine; Cl, S-(N-acetyl)cysteine; Cl, OH, S-(N-acetyl)cysteine.
The thiobenzamide moiety of DCTBA is converted to the nitrile in all extracted urinary metabolites. No hydrolysis of the nitrile in DCBN to either amide or an acid is detected. Urine is the major route for excretion; however, enterohepatic circulation occurs.

Properties of 2,6-Dichlorothiobenzamide

Melting point: 151-152°C
Boiling point: 320.6±52.0 °C(Predicted)
Density  1.4704 (rough estimate)
refractive index  1.6300 (estimate)
Flash point: >100 °C
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  neat
pka 11.71±0.29(Predicted)
color  White to Pale Beige
Water Solubility  0.95g/L(21 ºC)
BRN  1910353
CAS DataBase Reference 1918-13-4(CAS DataBase Reference)
EPA Substance Registry System Chlorthiamid (1918-13-4)

Safety information for 2,6-Dichlorothiobenzamide

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

Computed Descriptors for 2,6-Dichlorothiobenzamide

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