Fenhexamida - ≥98% , CAS No.126833-17-8

CAS: 126833-17-8 Cat. No.: F141490 Fórmula: C₁₄H₁₇Cl₂NO₂ Peso molecular: 302.2 Beilstein Registry Number: 8996658 Número EC: 603-167-3

GRADE & PURITY ≥98%

Synonyms

HY-118065 | KBR 2738 | CHEBI:81853 | Fenhexamid [ISO:BSI] | FENHEXAMID [MI] | FENHEXAMID [HSDB] | MFCD03095700 | 1-methyl-cyclohexanecarboxylic acid (2,3-dichloro-4-hydroxy-phenyl)-amide | NCGC00163791-01 | W-109584 | C18593 | AMY40772 | N'-[4-(dimethylam

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

HY-118065 | KBR 2738 | CHEBI:81853 | Fenhexamid [ISO:BSI] | FENHEXAMID [MI] | FENHEXAMID [HSDB] | MFCD03095700 | 1-methyl-cyclohexanecarboxylic acid (2,3-dichloro-4-hydroxy-phenyl)-amide | NCGC00163791-01 | W-109584 | C18593 | AMY40772 | N'-[4-(dimethylam

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757856
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757856
• Sonrisas canónicas: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
• IUPAC Name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
• InChIKey: VDLGAVXLJYLFDH-UHFFFAOYSA-N
• INCHI: 1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
• Isómeros SMILES: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
• RTECS: GU7879550
• Peso molecular: 302.2
• Beilstein: 8996658
• Reaxy-Rn: 8996658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8996658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: O-chlorophenols N-arylamides M-chlorophenols Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - 1,2-dichlorobenzene - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - N-arylamide - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Amide fungicides

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

Objetivos asociados (humanos)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Oculimacula yallundae (312 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Botrytis cinerea (4183 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oculimacula acuformis (31 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°C): >150°C
• Punto de ebullición (°C): 320 °C
• Punto de fusión (°C): 153 °C
• Peso molecular: 302.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 301.064 Da
• Monoisotopic Mass: 301.064 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 331.000
• 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

Referencias

1. Ruiyu Liang, Yi Peng, Yuling Hu, Gongke Li.  (2019)  A hybrid triazine-imine core-shell magnetic covalent organic polymer for analysis of pesticides in fruit samples by ultra high performance liquid chromatography with tandem mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  42  (7): (1432-1439).  [PMID:30680889] [10.1002/jssc.201801299]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 126833-17-8, the molecular formula is C14H17Cl2NO2, and the molecular weight is 302.2 g/mol. InChIKey VDLGAVXLJYLFDH-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.