Myclobutanil Solution in Hexane - 100μg/mL in Hexane,uncertain3% , CAS No.88671-89-0

CAS: 88671-89-0 Cat. No.: BWY396219 Formula: C₁₅H₁₇ClN₄ Peso molecolare: 288.78 Numero EC: 618-198-8

QUALITÀ & PUREZZA 100μg/mL in Hexane,uncertain3%

Synonyms

FT-0629047 | 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)- | Nova | 1H-1,2,4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-BUTYL-.ALPHA.-(4- CHLOROPHENYL)- | AKOS015895793 | .ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1- PROPAN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

FT-0629047 | 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)- | Nova | 1H-1,2,4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-BUTYL-.ALPHA.-(4- CHLOROPHENYL)- | AKOS015895793 | .ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1- PROPAN

Specifiche e purezza

100μg/mL in Hexane,uncertain3%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl

IUPAC Name

2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

InChIKey

HZJKXKUJVSEEFU-UHFFFAOYSA-N

INCHI

1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3

Isomeri SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl

Numero UN

2763

Gruppo di imballaggio

I

Peso molecolare

288.78

Reaxy-Rn

7138849

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7138849&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Triazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: Conazole 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

Obiettivi associati (umani)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Obiettivi associati (non umani)

Macrophomina phaseolina (474 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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

Eretmocerus eremicus (13 Activities)

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

Cucurbita maxima x Cucurbita moschata (14 Activities)

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

Amblyseius swirskii (12 Activities)

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

Podosphaera xanthii (125 Activities)

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

Lagenaria siceraria (14 Activities)

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

Diaporthe ampelina (88 Activities)

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

Orius insidiosus (12 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): >100°C
• Punto di ebollizione (°C): 202-208℃
• Punto di fusione (°C): 63-68℃
• Peso molecolare: 288.770 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 288.114 Da
• Monoisotopic Mass: 288.114 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1