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16655-82-6

16655-82-6 | 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)

CAS No: 16655-82-6 Catalog No: AG001WTW MDL No:

Product Description

Catalog Number:
AG001WTW
Chemical Name:
3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)
CAS Number:
16655-82-6
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
InChI:
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChI Key:
RHSUJRQZTQNSLL-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cccc2c1OC(C2O)(C)C

Properties

Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Literature

Title Journal
Analysis of carbofuran, carbosulfan, isoprocarb, 3-hydroxycarbofuran, and 3-ketocarbofuran by micellar electrokinetic chromatography. Journal of separation science 20120601
Degradation of carbofuran derivatives in restricted water environments: basic hydrolysis in AOT-based microemulsions. Journal of colloid and interface science 20120415
Surprising hair analysis results following acute carbofuran intoxication. Forensic science international 20111010
Carbofuran and its toxic metabolites provide forensic evidence for furadan exposure in vultures (Gyps africanus) in Kenya. Bulletin of environmental contamination and toxicology 20100501
Soil and water contamination with carbofuran residues in agricultural farmlands in Kenya following the application of the technical formulation Furadan. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20100201
Metabolism of carbosulfan. I. Species differences in the in vitro biotransformation by mammalian hepatic microsomes including human. Chemico-biological interactions 20091007
Simultaneous determination of eight pesticide residues in coconut using MSPD and GC/MS. Talanta 20080730
Hair analysis to document non-fatal pesticide intoxication cases. Forensic science international 20080321
A physiologically based pharmacokinetic/pharmacodynamic model for carbofuran in Sprague-Dawley rats using the exposure-related dose estimating model. Toxicological sciences : an official journal of the Society of Toxicology 20071201
Liquid chromatography quadrupole time-of-flight mass spectrometry analysis of carbosulfan, carbofuran, 3-hydroxycarbofuran, and other metabolites in food. Analytical chemistry 20070215
Survey of carbamate and organophosphorous pesticide export from a south Florida (U.S.A.) agricultural watershed: implications of sampling frequency on ecological risk estimation. Environmental toxicology and chemistry 20061101
Adsorption and degradation of benfuracarb in three soils in Hunan, People's Republic of China. Bulletin of environmental contamination and toxicology 20060401
Determination of carbosulfan and its metabolites in oranges by liquid chromatography ion-trap triple-stage mass spectrometry. Journal of chromatography. A 20060324
Gas chromatographic-tandem mass spectrometric method for the quantitation of carbofuran, carbaryl and their main metabolites in applicators' urine. Journal of chromatography. A 20060303
Determination of pesticides in soy-based infant formula using liquid chromatography with electrospray ionization tandem mass spectrometry. Journal of AOAC International 20060101
Comparison of four mass analyzers for determining carbosulfan and its metabolites in citrus by liquid chromatography/mass spectrometry. Rapid communications in mass spectrometry : RCM 20060101
Determination of pesticides in apple-based infant foods using liquid chromatography electrospray ionization tandem mass spectrometry. Journal of agricultural and food chemistry 20050209
A comparative study on the dissipation and microbial metabolism of organophosphate and carbamate insecticides in orchaqualf and fluvaquent soils of West Bengal. Chemosphere 20050201
In vitro metabolism of carbofuran by human, mouse, and rat cytochrome P450 and interactions with chlorpyrifos, testosterone, and estradiol. Chemico-biological interactions 20041207
Induction of carbofuran oxidation to 4-hydroxycarbofuran by Pseudomonas sp. 50432. FEMS microbiology letters 20020910
Derivatization reactions of carbamate pesticides in supercritical carbon dioxide. Analytical and bioanalytical chemistry 20020901
Dermal pharmacokinetics of the insecticide furathiocarb in rats. Pest management science 20020101
Presence of carbamate pesticides in environmental waters from the northwest of Mexico: determination by liquid chromatography. Water research 20010601
Metabolism of carbofuran by Aspergillus niger and Fusarium graminearum. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 19980501

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