ChemicalBook--->CAS DataBase List--->34622-58-7

34622-58-7

34622-58-7 Structure

34622-58-7 Structure
IdentificationBack Directory
[Name]

ORBENCARB
[CAS]

34622-58-7
[Synonyms]

b3356
LANRAY
LANRAY(R)
ORBENCARB
ORTHOBENCARB
orbencarb (bsi,iso)
orthobencarb (jmaf)
C15740000 Orbencarb
ORTHOBENCARB STANDARD
ORBENCARB PESTANAL
Orbencarb in Acetonitrile
Phenolphthalein Impurity 3
Orbencarb Solution, 100ppm
Orbencarb @100 μg/mL in MeOH
Orbencarb 100 μg/ml Acetonitrile
Prosulfocarb Impurity 9(Tiocarbazil)
ORBENCARB PESTANAL 250 MG (S-(2-CHLORO&
S-(o-Chlorobenzyl) N,N-diethylthiocarbamate
s-(2-chlorobenzyl) n,n-diethylthiocarbamate
Diethylcarbamothioic acid S-(2-chlorobenzyl)
diethylthiocarbamicacids-(o-chlorobenzyl)ester
diethylthio-carbamicacis-(o-chlorobenzyl)ester
Diethylcarbamothioic acid S-(2-chlorobenzyl) ester
diethyl-carbamothioicacis-((2-chlorophenyl)methyl)ester
Carbamothioic acid, N,N-diethyl-, S-[(2-chlorophenyl)methyl] ester
[Molecular Formula]

C12H16ClNOS
[MDL Number]

MFCD00145041
[MOL File]

34622-58-7.mol
[Molecular Weight]

257.78
Chemical PropertiesBack Directory
[Melting point ]

9℃
[Boiling point ]

158 °C
[density ]

1.179±0.06 g/cm3(Predicted)
[refractive index ]

n20/D 1.60
[storage temp. ]

0-6°C
[form ]

neat
[pka]

-1.28±0.70(Predicted)
[Water Solubility ]

24mg/L(temperature not stated)
[BRN ]

1968914
[Henry's Law Constant]

2.0×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Major Application]

agriculture
environmental
[InChI]

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

LLLFASISUZUJEQ-UHFFFAOYSA-N
[SMILES]

CCN(CC)C(=O)SCc1ccccc1Cl
[EPA Substance Registry System]

Carbamothioic acid, diethyl-, S-[(2-chlorophenyl)methyl] ester (34622-58-7)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/22
[RIDADR ]

2902
[WGK Germany ]

3
[RTECS ]

EZ7259400
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29302000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Orbencarb may be used as an analytical reference standard for the quantification of the analyte in water samples using cyclodextrin-modified micellar electro-kinetic chromatography (MEKC).', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
[Definition]

ChEBI: A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.
[Production Methods]

Orbencarb is synthesised through a two-step chemical process starting from diethylamine. In the first step, diethylamine reacts with carbonyl sulphide to form a thiocarbamate intermediate. This intermediate then undergoes a nucleophilic substitution reaction with 2-chlorobenzyl bromide, resulting in the final product: orbencarb.
[Mechanism of action]

Systemic absorbed through roots and seeds and translocated to growth points. Lipid synthesis inhibitor.
[Metabolic pathway]

When 14C-orbencarb is applied to the soil surface, plants absorb the radioactivity and orbencarb is rapidly transformed to water-soluble metabolites in the plants. The major metabolites identified are 2-chlorobenzyl alcohol and 2-chlorobenzoic acid both in free and conjugated forms, 2-chlorobenzyl sulfonic acid and methyl 2-chlorobenzylsulfone. Hydroxylated metabolites at the phenyl ring and N-vinyl metabolite are found in soybean plants. Orbencarb degrades more rapidly in soils under upland conditions than in soils under flooded conditions. The major degradation products in the soils are orbencarb sulfoxide, monodesmethylorbencarb, methyl-2- chlorobenzylsulfoxide, methyl-2-chlorobenzylsulfone, and 2-chlorobenzylsulfonic acid.
[Pesticide Type]

Herbicide
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