Fenhexamid - analytical standard , CAS No.126833-17-8

CAS: 126833-17-8 Cat. No.: F114625 Fórmula: C₁₄H₁₇Cl₂NO₂ Peso molecular: 302.2 Beilstein Registry Number: 8996658 Número CE: 603-167-3

GRAU & PUREZA Analytical standard

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

Especificações

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

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Sorrisos canónicos

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)

SMILES isoméricas

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
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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)

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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 ação

Propriedades químicas e físicas

• Ponto de inflamação (°C): >150°C
• Ponto de ebulição (°C): 320 °C
• Ponto de fusão (°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

Perguntas frequentes

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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.