Chloroxynil | CAS#1891-95-8 | herbicide

MedKoo Cat#: 146318 | Name: Chloroxynil

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Chloroxynil is a halogenated phenolic herbicide used primarily for the post-emergence control of broadleaf weeds in cereal crops and grasslands. It acts by disrupting photosynthesis, specifically inhibiting photosystem II, which leads to the production of reactive oxygen species and rapid desiccation of plant tissues. Chloroxynil is typically applied as a contact herbicide, meaning it affects only the plant tissue it touches, making application timing and coverage critical.

Chemical Structure

Chloroxynil

CAS#1891-95-8

Theoretical Analysis

MedKoo Cat#: 146318

Name: Chloroxynil

CAS#: 1891-95-8

Chemical Formula: C7H3Cl2NO

Exact Mass: 186.9592

Molecular Weight: 188.01

Elemental Analysis: C, 44.72; H, 1.61; Cl, 37.71; N, 7.45; O, 8.51

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Chloroxynil;

IUPAC/Chemical Name

3,5-dichloro-4-hydroxybenzonitrile

InChi Key

YRSSHOVRSMQULE-UHFFFAOYSA-N

InChi Code

1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

SMILES Code

OC1=C(Cl)C=C(C=C1Cl)C#N

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 188.01 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Kimura M, Cutler S, Isobe S. A Novel Phenolic Compound, Chloroxynil, Improves Agrobacterium-Mediated Transient Transformation in Lotus japonicus. PLoS One. 2015 Jul 15;10(7):e0131626. doi: 10.1371/journal.pone.0131626. PMID: 26176780; PMCID: PMC4503419. 2: Mostafa MAB, Bowley RM, Racys DT, Henry MC, Sutherland A. Iron(III)-Catalyzed Chlorination of Activated Arenes. J Org Chem. 2017 Jul 21;82(14):7529-7537. doi: 10.1021/acs.joc.7b01225. Epub 2017 Jul 3. PMID: 28661157. 3: Lovecka P, Thimova M, Grznarova P, Lipov J, Knejzlik Z, Stiborova H, Nindhia TG, Demnerova K, Ruml T. Study of Cytotoxic Effects of Benzonitrile Pesticides. Biomed Res Int. 2015;2015:381264. doi: 10.1155/2015/381264. Epub 2015 Aug 3. PMID: 26339609; PMCID: PMC4538370. 4: Veselá AB, Franc M, Pelantová H, Kubác D, Vejvoda V, Sulc M, Bhalla TC, Macková M, Lovecká P, Janů P, Demnerová K, Martínková L. Hydrolysis of benzonitrile herbicides by soil actinobacteria and metabolite toxicity. Biodegradation. 2010 Sep;21(5):761-70. doi: 10.1007/s10532-010-9341-4. Epub 2010 Mar 4. Erratum in: Biodegradation. 2011 Nov;22(6):1255. PMID: 20204468. 5: Millet M, Palm WU, Zetzsch C. Abiotic degradation of halobenzonitriles: investigation of the photolysis in solution. Ecotoxicol Environ Saf. 1998 Sep;41(1):44-50. doi: 10.1006/eesa.1998.1665. PMID: 9756688. 6: Amrutha M, Nampoothiri KM. In silico analysis of nitrilase-3 protein from Corynebacterium glutamicum for bioremediation of nitrile herbicides. J Genet Eng Biotechnol. 2022 Mar 29;20(1):51. doi: 10.1186/s43141-022-00332-5. PMID: 35348933; PMCID: PMC8964915. 7: Bettiol C, De Vettori S, Minervini G, Zuccon E, Marchetto D, Ghirardini AV, Argese E. Assessment of phenolic herbicide toxicity and mode of action by different assays. Environ Sci Pollut Res Int. 2016 Apr;23(8):7398-408. doi: 10.1007/s11356-015-5958-5. Epub 2015 Dec 23. PMID: 26695414. 8: Veselá AB, Pelantová H, Sulc M, Macková M, Lovecká P, Thimová M, Pasquarelli F, Pičmanová M, Pátek M, Bhalla TC, Martínková L. Biotransformation of benzonitrile herbicides via the nitrile hydratase-amidase pathway in rhodococci. J Ind Microbiol Biotechnol. 2012 Dec;39(12):1811-9. doi: 10.1007/s10295-012-1184-z. Epub 2012 Aug 26. PMID: 22922990. 9: Kimura M, Isobe S. Small-Molecule Screening to Increase Agrobacterium- Mediated Transformation Efficiency in Legumes. Methods Mol Biol. 2018;1795:93-99. doi: 10.1007/978-1-4939-7874-8_8. PMID: 29846921. 10: Detzel C, Maas R, Tubeleviciute A, Jose J. Autodisplay of nitrilase from Klebsiella pneumoniae and whole-cell degradation of oxynil herbicides and related compounds. Appl Microbiol Biotechnol. 2013 Jun;97(11):4887-96. doi: 10.1007/s00253-012-4401-9. Epub 2012 Sep 18. PMID: 22987202. 11: Cutler SR, Somerville CR. Imaging plant cell death: GFP-Nit1 aggregation marks an early step of wound and herbicide induced cell death. BMC Plant Biol. 2005 Mar 29;5:4. doi: 10.1186/1471-2229-5-4. PMID: 15796778; PMCID: PMC1087855.