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About This Item
Empirical Formula (Hill Notation):
C12H16ClNOS
CAS Number:
Molecular Weight:
257.78
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1968914
grade
analytical standard
Quality Level
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, NMR: suitable, gas chromatography (GC): suitable
refractive index
n20/D 1.60
suitability
passes test for identity (NMR)
application(s)
agriculture
environmental
format
neat
SMILES string
CCN(CC)C(=O)SCc1ccccc1Cl
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
InChI key
LLLFASISUZUJEQ-UHFFFAOYSA-N
General description
Orbencarb is a pre-emergence, thiocarbamate herbicide, generally synthesized by the reaction of 2-chloro-mercaptotoluene with N-diethyl carbamoyl chloride. It is highly effective against weeds in upland crops such as wheat and soy bean.
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
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).
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Jin-Young Lee et al.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, 233, 108771-108771 (2020-04-27)
Thiocarbamates are one of the components of pesticides that target weeds by inhibiting adenosine triphosphate (ATP) synthesis. Orbencarb, one of the isomeric thiocarbamates applied to wheat, maize, and soybean, has been found to have toxic effects on mammals and marine
Determination of regularly distributed plant protectants in raw and drinking waters, using a multiresidue method with cyclodextrin-modified micellar electrokinetic chromatography.
Journal of AOAC (Association of Official Analytical Chemists) International, 82, 1510-1522 (1999)
Sulphur-containing drugs and related organic compounds, 1 (1989)
