ChemicalBook--->CAS DataBase List--->28249-77-6

28249-77-6

28249-77-6 Structure

28249-77-6 Structure
IdentificationMore
[Name]

Thiobencarb
[CAS]

28249-77-6
[Synonyms]

4-chlorobenzyl diethylthiolcarbamate
4-Chlorobenzyl N,N-diethylthiocarbamate
BENTHIOCARB
Benthiocarb granulesBenthiocarb
BIGTURN
BOLERO
Bolero Hydram
BOLERO(R)
Molinate(content>25%)
Morinate
S-(4-CHLOROBENZYL)-N,N-(DIETHYL)-THIOCARBAMATE
S-(4-CHLOROPHENYL)METHYL DIETHYL-CARBAMOTHIOATE
SATURN
SATURN 90
Saturn granules
SATURNO(R)
SATURN(R)
SIACARB
THIOBENCARB
Thiobencarb granules
[EINECS(EC#)]

248-924-5
[Molecular Formula]

C12H16ClNOS
[MDL Number]

MFCD00055475
[Molecular Weight]

257.78
[MOL File]

28249-77-6.mol
Chemical PropertiesBack Directory
[Appearance]

Amber-colored, slightly water-soluble, liquid.
[Melting point ]

1.7°C
[Boiling point ]

126-129°C
[density ]

1.0756 (rough estimate)
[refractive index ]

1.5630 (estimate)
[storage temp. ]

APPROX 4°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

-1.26±0.70(Predicted)
[color ]

Pale yellow
[Water Solubility ]

30mg/L(22 ºC)
[BRN ]

1968440
[Henry's Law Constant]

1.9×101 mol/(m3Pa) at 25℃, Watanabe (1993)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
[InChIKey]

QHTQREMOGMZHJV-UHFFFAOYSA-N
[SMILES]

C(SCC1=CC=C(Cl)C=C1)(=O)N(CC)CC
[Uses]

Thiocarbamate herbicide used to control sedges and grasses in rice paddies.
[CAS DataBase Reference]

28249-77-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benthiocarb(28249-77-6)
[EPA Substance Registry System]

28249-77-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,N,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082
[WGK Germany ]

3
[RTECS ]

EZ7260000
[HS Code ]

29302000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
[Hazardous Substances Data]

28249-77-6(Hazardous Substances Data)
[Toxicity]

chicken,LD50,oral,673mg/kg (673mg/kg),Japan Pesticide Information. Vol. (19), Pg. 21, 1974.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyl chloride-->Diethylamine-->Oxygen-->Carbon monoxide-->Sulphur-->Petroleum crude oil-->4-Chlorobenzyl chloride-->Coke (coal)-->Carbonyl sulfide-->TEPRALOXYDIM
Hazard InformationBack Directory
[General Description]

Pale yellow to brownish yellow liquid. Non corrosive. Used as an herbicide.
[Reactivity Profile]

THIOBENCARB(28249-77-6) is a thiocarbamate. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides.
[Air & Water Reactions]

Thio and dithiocarbamates slowly decompose in aqueous solution to form carbon disulfide and methylamine or other amines. Such decompositions are accelerated by acids.
[Hazard]

Toxic.
[Chemical Properties]

Amber-colored, slightly water-soluble, liquid.
[Definition]

ChEBI: Thiobencarb is a member of monochlorobenzenes and a monothiocarbamic ester.
[Production Methods]

Thiobencarb is produced commercially through a multi-step synthesis that constructs its thiocarbamate herbicidal structure. The process begins with the preparation of diethylthiocarbamic acid, which is then esterified with 4-chlorobenzyl chloride to form S-(4-chlorobenzyl) diethylthiocarbamate, the active thiobencarb molecule. This reaction is typically carried out under controlled temperature and pH conditions to ensure high yield and purity. The final product is then purified and formulated.
[Mechanism of action]

Selective. Acetyl CoA carboxylase inhibitor (ACCase) - distrupts fatty acid biosynthesis and lipid formation.
[Pesticide Type]

Herbicide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzyl diethylthiolcarbamate(28249-77-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Thiobencarb(28249-77-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

28249-77-6(sigmaaldrich)
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