| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:53 UTC |
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| Update Date | 2016-11-09 01:08:59 UTC |
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| Accession Number | CHEM002853 |
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| Identification |
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| Common Name | Nitrapyrin |
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| Class | Small Molecule |
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| Description | Nitrapyrin (trade name N-Serve) is used as an agricultural chemical. It inhibits nitrification in grain and reduced the nitrogen losses from arable land. It was approved in the USA in 1974 and inhibits or kills Nitrosomonas bacteria. Nitrapyrin is currently registered by the U.S. Environmental Protection Agency (EPA) as a nitrification inhibitor to slow and reduce the loss of nitrogen from soil when used together with urea and other ammoniacal (ammonia containing) fertilizers. |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- My Exposome Chemicals
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Fertilizer
- Industrial/Workplace Toxin
- Organic Compound
- Organochloride
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| N-Serve | MeSH | | alpha,alpha,alpha-6-Tetrachloro-2-picoline | MeSH |
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| Chemical Formula | C6H3Cl4N |
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| Average Molecular Mass | 230.907 g/mol |
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| Monoisotopic Mass | 228.902 g/mol |
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| CAS Registry Number | 1929-82-4 |
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| IUPAC Name | 2-chloro-6-(trichloromethyl)pyridine |
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| Traditional Name | nitrapyrin |
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| SMILES | ClC1=CC=CC(=N1)C(Cl)(Cl)Cl |
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| InChI Identifier | InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H |
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| InChI Key | DCUJJWWUNKIJPH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Halopyridines |
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| Direct Parent | 2-halopyridines |
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| Alternative Parents | |
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| Substituents | - 2-halopyridine
- Aryl halide
- Aryl chloride
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Alkyl halide
- Alkyl chloride
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 | Exogenous |
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| Cellular Locations | |
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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 | Solid |
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| Appearance | White powder. |
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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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-155efc8e21abb42dd2eb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-155efc8e21abb42dd2eb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00or-6790000000-3fd94cce028cd14d4d25 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-3f0ef5b7d6086e875a24 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0090000000-a318e2223770cc23932a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01p9-9010000000-0a1e369e47e1e9e8528d | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-0005-3900000000-fd79ba4a23f5397d6cc2 | 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) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | Nitrapyrin (trade name N-Serve) is used as an agricultural chemical. Nitrapyrin is currently registered by the U.S. Environmental Protection Agency (EPA) as a nitrification inhibitor to slow and reduce the loss of nitrogen from soil when used together with urea and other ammoniacal (ammonia containing) fertilizers. |
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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 | Nitrapyrin |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 16004 |
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| Kegg Compound ID | C18751 |
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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 | Not Available |
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