Quinchlorac - analytical standard, ≥98% , CAS No.84087-01-4

CAS: 84087-01-4 Cat. No.: Q109943 Molecular Weight: 242.06 Beilstein Registry Number: 7761858 EC Number: 402-780-1 PubChem CID: 91739

GRADE & PURITY Analytical standard, ≥98%

Synonyms

DTXCID4012641 | 1-Indanone, 6-methyl- | 3,7-Dichloroquinoline-8-carboxylic acid | DTXSID6032641 | SCHEMBL55011 | FFSSWMQPCJRCRV-UHFFFAOYSA-N | NCGC00163716-02 | Quinchlorac, PESTANAL(R), analytical standard | Tox21_300738 | Quinchlorac | Quinclorac tech |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXCID4012641 | 1-Indanone, 6-methyl- | 3, 7-Dichloroquinoline-8-carboxylic acid | DTXSID6032641 | SCHEMBL55011 | FFSSWMQPCJRCRV-UHFFFAOYSA-N | NCGC00163716-02 | Quinchlorac, PESTANAL(R), analytical standard | Tox21_300738 | Quinchlorac | Quinclorac tech |

Specifications & Purity

analytical standard, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756087
• Canonical Smiles: C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl
• IUPAC Name: 3,7-dichloroquinoline-8-carboxylic acid
• InChIKey: FFSSWMQPCJRCRV-UHFFFAOYSA-N
• INCHI: 1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
• Isomeric SMILES: C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl
• WGK Germany: 2
• RTECS: VB1984000
• PubChem CID: 91739
• Molecular Weight: 242.06
• Beilstein: 7761858

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Chloroquinolines 1-carboxy-2-haloaromatic compounds Pyridines and derivatives Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-8-carboxylic acid - Haloquinoline - Chloroquinoline - 1-carboxy-2-haloaromatic compound - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 100 °C
• Flash Point(°C): 100°C
• Melt Point(°C): 213°C
• Molecular Weight: 242.050 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.97 Da
• Monoisotopic Mass: 240.97 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 262.000
• 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

References

1. Zhaoyi Li, Xianhui Yin, You Luo, Sen Yang.  (2023)  Mixing bamboo charcoal with vinasse fertilizer to remediate the phytotoxicity of quinclorac to tobacco.  Archives of Agronomy and Soil Science,      [PMID:] [10.1080/03650340.2023.2291445]

2. Zhengjie Peng, Shikai Li, Hao He, Yujiao Wen, Haolong Huang, Lezhu Su, Zhigang Yi, Xing Peng, Nan Zhou.  (2023)  FeS and Fe3O4 Co-modified biochar to build a highly resistant advanced oxidation process system for quinclorac degradation in irrigation water.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:37922748] [10.1016/j.jenvman.2023.119492]

3. Jian Hu, Long Chen, Pengzhang Chen, Shixi Gu, Yu Zhou, Jilong Zhang, Wenjie Zhao, Honglin Tao, Nan Zhou, Baobin Mi, Fangfang Wu.  (2023)  One-pot cogeneration of phenol-rich bio-oil, hydrogen-rich gas and solid carbon degradation material from reed.  FUEL PROCESSING TECHNOLOGY,      [PMID:] [10.1016/j.fuproc.2023.107912]

4. Yifan Wang, Zhengjie Peng, Youqing Yang, Zhonnan Li, Yujiao Wen, Meng Liu, Shikai Li, Lezhu Su, Zhi Zhou, Yongfa Zhu, Nan Zhou.  (2022)  Auricularia auricula biochar supported γ-FeOOH nanoarrays for electrostatic self-assembly and pH-responsive controlled release of herbicide and fertilizer.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134984]

5. Jingyu Zhang, Huihui Hu, Jian Wang, Keqiang Lu, Yunyun Zhou, Lingzhi Zhao, Juanjuan Peng.  (2024)  Gold nanoclusters-based fluorescence sensor array for herbicides qualitative and quantitative analysis.  ANALYTICA CHIMICA ACTA,      [PMID:38462337] [10.1016/j.aca.2024.342380]

6. Wenying Ding, Bingfeng Chen, Minglong Song, Meng Liu, Binghai Lv, Danyan Qiu, Yuke Zhu, Zhenyan Zhang, Mengwei Zhang, Rongshe Zhang, Tao Lu, Haifeng Qian.  (2025)  Different effects of heterocyclic compounds on the diversity and functions of soil microbiota.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41175752] [10.1016/j.jhazmat.2025.140318]

7. Zemiao Wang, Yang Hu, Jiayi Liu, Guizhen Luo, Xue He, Fengping Chen, Ling Fang, Zongwen Wang.  (2025)  A multicolor colorimetric aptasensor for visual detection of quinclorac based on G-quadruplex DNAzyme-mediated gold nanobipyramid growth.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41253057] [10.1016/j.saa.2025.127162]