Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 04:21:23 UTC |
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Update Date | 2016-11-09 01:15:35 UTC |
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Accession Number | CHEM017445 |
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Identification |
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Common Name | Dichlorprop-P |
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Class | Small Molecule |
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Description | The R- (active) enantiomer of dichlorprop. It is used as a herbicide for killing annual and broad leaf weeds. |
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Contaminant Sources | - STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(+)-2,4-DP | ChEBI | (+)-2-(2,4-Dichlorophenoxy)propanoic acid | ChEBI | (+)-2-(2,4-Dichlorophenoxy)propionic acid | ChEBI | (+)-Dichlorprop | ChEBI | (2R)-(+)-2-(2,4-Dichlorophenoxy)propanoic acid | ChEBI | (2R)-(+)-2-(2,4-Dichlorophenoxy)propionic acid | ChEBI | (2R)-2-(2,4-Dichlorophenoxy)propionic acid | ChEBI | (R)-(+)-2-(2,4-Dichlorophenoxy)propionic acid | ChEBI | (R)-(+)-Dichlorprop | ChEBI | (R)-2-(2,4-Dichlorophenoxy)propanoic acid | ChEBI | (R)-2-(2,4-Dichlorophenoxy)propionic acid | ChEBI | (R)-DCPP | ChEBI | D-Dichlorprop | ChEBI | Dichlorprop-p | ChEBI | (+)-2-(2,4-Dichlorophenoxy)propanoate | Generator | (+)-2-(2,4-Dichlorophenoxy)propionate | Generator | (2R)-(+)-2-(2,4-Dichlorophenoxy)propanoate | Generator | (2R)-(+)-2-(2,4-Dichlorophenoxy)propionate | Generator | (2R)-2-(2,4-Dichlorophenoxy)propionate | Generator | (R)-(+)-2-(2,4-Dichlorophenoxy)propionate | Generator | (R)-2-(2,4-Dichlorophenoxy)propanoate | Generator | (R)-2-(2,4-Dichlorophenoxy)propionate | Generator | (2R)-2-(2,4-Dichlorophenoxy)propanoate | Generator |
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Chemical Formula | C9H8Cl2O3 |
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Average Molecular Mass | 235.060 g/mol |
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Monoisotopic Mass | 233.985 g/mol |
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CAS Registry Number | 15165-67-0 |
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IUPAC Name | (2R)-2-(2,4-dichlorophenoxy)propanoic acid |
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Traditional Name | (2R)-2-(2,4-dichlorophenoxy)propanoic acid |
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SMILES | [H][C@](C)(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O |
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InChI Identifier | InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1 |
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InChI Key | MZHCENGPTKEIGP-RXMQYKEDSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | 2-phenoxypropionic acids |
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Direct Parent | 2-phenoxypropionic acids |
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Alternative Parents | |
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Substituents | - 2-phenoxypropionic acid
- Phenoxyacetate
- Phenoxy compound
- Phenol ether
- 1,3-dichlorobenzene
- Alkyl aryl ether
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic oxygen compound
- Carbonyl group
- Organochloride
- Organic oxide
- Organohalogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lr-0290000000-47f6045622f1b0ed0183 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2930000000-36cb4444e42220d8edad | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-2900000000-dc9e1ef71abf99817bb8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0290000000-dd659f39fc34ba438c3f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03e9-0940000000-820a445e6d46f09be9d8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0900000000-27642267b16dcefc91bf | Spectrum | MS | Mass Spectrum (Electron Ionization) | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | 75373 |
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PubChem Compound ID | 119435 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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