Benthiocarb: Difference between revisions

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	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| CASNo = 28249-77-6		\| CASNo = 28249-77-6
	\| ~~PubChem~~ = ~~34192~~		\| ChEMBL = 388559
			\| StdInChI = 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
			\| StdInChIKey = QHTQREMOGMZHJV-UHFFFAOYSA-N
			\| PubChem = 34192
	\| ChemSpiderID = 31512		\| ChemSpiderID = 31512
	\| KEGG = C14428		\| KEGG = C14428

Revision as of 20:58, 9 November 2011

Benthiocarb
Names

IUPAC name S-(4-Chlorobenzyl) diethylcarbamothioate
Other names Thiobencarb, Saturn, Bolero
Identifiers
CAS Number	28249-77-6
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL388559
ChemSpider	31512
ECHA InfoCard	100.044.461
KEGG	C14428
PubChem CID	34192
CompTox Dashboard (EPA)	DTXSID6024337
InChI InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3Key: QHTQREMOGMZHJV-UHFFFAOYSA-N 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
SMILES Clc1ccc(cc1)CSC(=O)N(CC)CC
Properties
Chemical formula	C₁₂H₁₆ClNOS
Molar mass	257.780 g mol
Appearance	Pale yellow to brownish-yellow liquid
Density	1.145-1.180 g cm at 20 °C
Melting point	3.3 °C
Boiling point	126-129 °C at 0.008 Torr
Solubility in water	28.0 mg/L at 25 °C
Solubility	Readily soluble in: acetone, ethanol, xylene, methanol, benzene, n-hexane, and acetonitrile
log P	3.42 (octanol/water)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Moderately Hazardous
Flash point	165.8 °C
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	Rat, oral 1300 mg/kg Mouse, oral 560 mg/kg
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Chemical compound

Benthiocarb is a thiocarbamate cholinesterase inhibitor used as a herbicide.

Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1192
Worthing, C.R. and S.B. Walker (eds.). The Pesticide Manual - A World Compendium. 8th ed. Thornton Heath, UK: The British Crop Protection Council, 1987., p. 796