Revision as of 20:58, 9 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit | Latest revision as of 17:28, 7 September 2024 edit undoJWBE (talk | contribs)Extended confirmed users10,127 edits removed Category:Chloroarenes; added Category:4-Chlorophenyl compounds using HotCat | ||
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{{Chembox | {{Chembox | ||
| Watchedfields = changed | |||
| verifiedrevid = 459858663 | |||
| ImageFile = Benthiocarb.svg | | ImageFile = Benthiocarb.svg | ||
| ImageSize = |
| ImageSize = | ||
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| PIN = ''S''- diethylcarbamothioate | ||
| OtherNames = Thiobencarb, Saturn, Bolero | | OtherNames = Thiobencarb, Saturn, Bolero | ||
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|Section1={{Chembox Identifiers | ||
| CASNo_Ref = {{cascite|correct|CAS}} | |||
| CASNo = 28249-77-6 | |||
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| CASNo = 28249-77-6 | ||
| UNII_Ref = {{fdacite|correct|FDA}} | |||
| UNII = 90LN6Y7I7H | |||
| ChEMBL_Ref = {{ebicite|correct|EBI}} | |||
| ChEMBL = 388559 | |||
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | |||
| 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 | | 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_Ref = {{stdinchicite|correct|chemspider}} | |||
| StdInChIKey = QHTQREMOGMZHJV-UHFFFAOYSA-N | | StdInChIKey = QHTQREMOGMZHJV-UHFFFAOYSA-N | ||
| PubChem = 34192 | | PubChem = 34192 | ||
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | |||
| |
| ChemSpiderID = 31512 | ||
| KEGG_Ref = {{keggcite|correct|kegg}} | |||
| KEGG = C14428 | | KEGG = C14428 | ||
| |
| SMILES = Clc1ccc(cc1)CSC(=O)N(CC)CC | ||
| |
| 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 | ||
}} | }} | ||
| |
|Section2={{Chembox Properties | ||
| C=12 | H=16 | Cl=1 | N=1 | O=1 | S=1 | |||
| Formula = C<sub>12</sub>H<sub>16</sub>ClNOS | |||
⚫ | | Appearance = Pale yellow to brownish-yellow liquid | ||
| MolarMass = 257.780 g mol<sup>-1</sup> | |||
⚫ | | Density = 1.145-1.180 g cm<sup>−3</sup> at 20 °C | ||
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| MeltingPtC = 3.3 | |||
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| MeltingPt_notes = | |||
| MeltingPt = 3.3 °C | |||
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| BoilingPtC = 126 to 129 | ||
| |
| BoilingPt_notes = at 0.008 Torr | ||
| Solubility = 28.0 mg/L at 25 °C | |||
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| SolubleOther = Readily soluble in: ], ], ], ], ], ], and ] | ||
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| LogP =3.42 (octanol/water)<ref>{{cite book | editor = Tomlin, C.D.S. | title = The Pesticide Manual - World Compendium | edition = 11th | publisher = British Crop Protection Council | location = Surrey, England | date = 1997 | page = 1192 }}</ref> | ||
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⚫ | Mouse, oral 560 mg/kg <ref>Worthing, C.R. and S.B. Walker |
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| Autoignition = | |||
}} | }} | ||
⚫ | |Section3={{Chembox Hazards | ||
| NFPA-H = 4 | |||
| NFPA-F = 1 | |||
| NFPA-R = 0 | |||
| NFPA-S = | |||
⚫ | | MainHazards = | ||
⚫ | | LD50 = Rat, oral 1300 mg/kg | ||
⚫ | Mouse, oral 560 mg/kg <ref>{{cite book | editor = Worthing, C.R. and S.B. Walker | title = The Pesticide Manual - A World Compendium | edition = 8th | location = Thornton Heath, UK | publisher = The British Crop Protection Council | date = 1987 | page = 796}} </ref> | ||
⚫ | | FlashPtC = 165.8 | ||
| AutoignitionPtC = | |||
⚫ | }} | ||
}} | }} | ||
'''Benthiocarb''' is a thiocarbamate ] inhibitor used as an ]. Benthiocarb is almost always used to control the weeds around rice crops, but its effectiveness is not specific to just rice crops.<ref>{{Cite web |last=United States Environmental Protection Agency |date=September 1997 |title=R.E.D. FACTS Thiobencarb |url=https://www3.epa.gov/pesticides/chem_search/reg_actions/reregistration/fs_PC-108401_1-Sep-97.pdf |access-date=September 26, 2022}}</ref> The benthiocarb molecule is an organic molecule containing a ] bonded to a ] atom. | |||
'''Benthiocarb''' is a thiocarbamate cholinesterase inhibitor used as a ]. | |||
] | |||
==See also== | ==See also== | ||
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] | ] | ||
] | ] | ||
] | ] | ||
{{med-toxic-stub}} |
Latest revision as of 17:28, 7 September 2024
Names | |
---|---|
Preferred IUPAC name S- diethylcarbamothioate | |
Other names Thiobencarb, Saturn, Bolero | |
Identifiers | |
CAS Number | |
3D model (JSmol) | |
ChEMBL | |
ChemSpider | |
ECHA InfoCard | 100.044.461 |
KEGG | |
PubChem CID | |
UNII | |
CompTox Dashboard (EPA) | |
InChI
| |
SMILES
| |
Properties | |
Chemical formula | C12H16ClNOS |
Molar mass | 257.78 g·mol |
Appearance | Pale yellow to brownish-yellow liquid |
Density | 1.145-1.180 g cm at 20 °C |
Melting point | 3.3 °C (37.9 °F; 276.4 K) |
Boiling point | 126 to 129 °C (259 to 264 °F; 399 to 402 K) 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 | |
NFPA 704 (fire diamond) | 4 1 0 |
Flash point | 165.8 °C (330.4 °F; 438.9 K) |
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). Y verify (what is ?) Infobox references |
Benthiocarb is a thiocarbamate cholinesterase inhibitor used as an herbicide. Benthiocarb is almost always used to control the weeds around rice crops, but its effectiveness is not specific to just rice crops. The benthiocarb molecule is an organic molecule containing a phenol bonded to a chlorine atom.
See also
References
- Tomlin, C.D.S., ed. (1997). The Pesticide Manual - World Compendium (11th ed.). Surrey, England: British Crop Protection Council. p. 1192.
- Worthing, C.R. and S.B. Walker, ed. (1987). The Pesticide Manual - A World Compendium (8th ed.). Thornton Heath, UK: The British Crop Protection Council. p. 796.
- United States Environmental Protection Agency (September 1997). "R.E.D. FACTS Thiobencarb" (PDF). Retrieved September 26, 2022.
External links
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