Fenclorim - analytical standard, ≥99.3% , CAS No.3740-92-9

CAS: 3740-92-9 Cat. No.: F114652 Molecular Weight: 225.07 Beilstein Registry Number: 142293 EC Number: 609-426-7

GRADE & PURITY Analytical standard, ≥99.3%

Synonyms

Fenclorim [ISO] | Propiophenone, 3-piperidino- | UNII-53665T9BHJ | AKOS002665247 | AM20060990 | AC-907/34127043 | Q3068335 | Fenclorim, PESTANAL(R), analytical standard | Propiophenone, 3-piperidino-, hydrochloride | C18832 | 1J-330S | F0851 | MFCD0075419

Storage

Room temperature

Shipped In

Normal

Overview

Fenclorim is a herbicide saferner belonging to the pyrimidine class, used for the protection of crops from seedling damage. It mainly acts by metabolizing pretilachlor in direct seeded rice

Specifications

Synonyms

Fenclorim [ISO] | Propiophenone, 3-piperidino- | UNII-53665T9BHJ | AKOS002665247 | AM20060990 | AC-907/34127043 | Q3068335 | Fenclorim, PESTANAL(R), analytical standard | Propiophenone, 3-piperidino-, hydrochloride | C18832 | 1J-330S | F0851 | MFCD0075419

Specifications & Purity

analytical standard, ≥99.3%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.3%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)Cl
• IUPAC Name: 4,6-dichloro-2-phenylpyrimidine
• InChIKey: NRFQZTCQAYEXEE-UHFFFAOYSA-N
• INCHI: 1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)Cl
• WGK Germany: 2
• RTECS: UV8258400
• Molecular Weight: 225.07
• Beilstein: 142293
• Reaxy-Rn: 142293
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Pesticides

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

Chemical and Physical Properties

• Solubility: Soluble in methanol, DMSO, and chloroform. Insoluble in water.
• Melt Point(°C): 96.9°C
• Molecular Weight: 225.070 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.991 Da
• Monoisotopic Mass: 223.991 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 173.000
• 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. Wei Tang, Jinqiu Sun, Xiaoyue Yu, Fengyan Zhou, Shengnan Liu, Mengjie Liu, Yongliang Lu, Yongjie Yang.  (2022)  Fenclorim Increasing Butachlor Selectivity between Wheat and Roegneria kamoji by Seed Soaking.  Agronomy-Basel,  12  (11): (2870).  [PMID:] [10.3390/agronomy12112870]

2. Chen Hongjun, Liu Xiu, Deng Shuqi, Wang Hongkun, Ou Xiaoming, Huang Linya, Li Jingbo, Jin Chenzhong.  (2020)  Pretilachlor Releasable Polyurea Microcapsules Suspension Optimization and Its Paddy Field Weeding Investigation.  Frontiers in Chemistry,      [PMID:33195036] [10.3389/fchem.2020.00826]

3. Hongjun Chen, Xiu Liu, Hongkun Wang, Siyu Wu, Jingbo Li, Chenzhong Jin, Hanhong Xu.  (2020)  Polyurea microencapsulate suspension: An efficient carrier for enhanced herbicidal activity of pretilachlor and reducing its side effects.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254770] [10.1016/j.jhazmat.2020.123744]

4. Xiu Liu, Xing Tang, Hongjun Chen, Xiang Wu, Zitong Fu, Mingyu Peng, Chenzhong Jin, Jun Guo.  (2025)  A Fenclorim Molecularly Imprinted Electrochemical Sensor Based on a Polycatechol/Ti3C2Tx Composite.  SENSORS,  25  (18): (5838).  [PMID:41013071] [10.3390/s25185838]

5. Hongjun Chen, Xing Tang, Long Xiao, Xiu Liu, Chenzhong Jin.  (2026)  Herbicidal safening activity of Loropetalum chinense extract in alleviating pretilachlor-induced phytotoxicity in rice.  Frontiers in Plant Science,      [PMID:41640783] [10.3389/fpls.2025.1711639]