Clopyralid - ≥96% , CAS No.1702-17-6

CAS: 1702-17-6 Cat. No.: C141485 Formula: C₆H₃Cl₂NO₂ Peso molecolare: 192.00 Beilstein Registry Number: 473755 Numero EC: 216-935-4

GRADE & PURITY ≥96%

Synonyms

Tox21_300876 | BRN 0473755 | Campaign | Lontrel L | W-107887 | Benzalox | Caswell No. 323H | Cirtoxin | Dow shield | Tox21_201435 | Clopiralid | NCGC00163834-02 | A811178 | 3,6-Dichloro-pyridine-2-carboxylic acid | 3,6-Dichloropyridine-2-carboxylic acid |

Storage

Room temperature

Shipped In

Normal

Panoramica

Clopyralid is a polar herbicide with a carboxylic acid group, which belongs to the class of pyridine compounds.

Specifications

Sinonimi

Tox21_300876 | BRN 0473755 | Campaign | Lontrel L | W-107887 | Benzalox | Caswell No. 323H | Cirtoxin | Dow shield | Tox21_201435 | Clopiralid | NCGC00163834-02 | A811178 | 3,6-Dichloro-pyridine-2-carboxylic acid | 3,6-Dichloropyridine-2-carboxylic acid |

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488182139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182139
• Sorrisi canonici: C1=CC(=NC(=C1Cl)C(=O)O)Cl
• IUPAC Name: 3,6-dichloropyridine-2-carboxylic acid
• InChIKey: HUBANNPOLNYSAD-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
• Isomeri SMILES: C1=CC(=NC(=C1Cl)C(=O)O)Cl
• WGK Germania: 3
• RTECS: TJ7500700
• Numero UN: 3077
• Gruppo di imballaggio: III
• Peso molecolare: 192.00
• Beilstein: 473755
• Reaxy-Rn: 473755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Benzoic acid herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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Obiettivi associati (non umani)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Discover Target: Mmp2

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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Zea mays (820 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >100 °C
• Punto di infiammabilità (°C): >100°C
• Peso molecolare: 192.000 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Tingting Liu, Jian Luo, Shangke Liu, Tongtong Li, Haolin Li, Lingyan Zhang, Wei Mu, Nan Zou.  (2021)  Clothianidin loaded TA/Fe (III) controlled-release granules: improve pesticide bioavailability and alleviate oxidative stress.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34492809] [10.1016/j.jhazmat.2021.125861]

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1702-17-6, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192.00 g/mol. InChIKey HUBANNPOLNYSAD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.