Quintozene（PCNB） - for plant cell culture, ≥94% , CAS No.82-68-8

CAS: 82-68-8 Cat. No.: Q108782 Fórmula: C₆Cl₅NO₂ Peso molecular: 295.33 Beilstein Registry Number: 1914324 Número EC: 201-435-0

GRADE & PURITY Suitable for plant cell culture, ≥94%

Synonyms

Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix) | Pcnb

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Sinónimos

Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix) | Pcnb

Especificaciones y pureza

for plant cell culture, ≥94%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Grado

Apto para el cultivo de células vegetales

Pureza

≥94%

Nombres e identificadores

Pubchem Sid

508812339

Sonrisas canónicas

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

IUPAC Name

1,2,3,4,5-pentachloro-6-nitrobenzene

InChIKey

LKPLKUMXSAEKID-UHFFFAOYSA-N

INCHI

1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

Isómeros SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

WGK Alemania

2

Número ONU

3077

Grupo de embalaje

III

Peso molecular

295.33

Beilstein

1914324

Reaxy-Rn

1914324

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914324&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Organochlorine 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)

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Lymphoblastoid cell (5959 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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Objetivos asociados (no humanos)

Trichoderma viride (1263 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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Colletotrichum fragariae (147 Activities)

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Coniophora puteana (8 Activities)

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Sporotrichum (7 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 328°C
• Punto de fusión (°C): 146°C
• Peso molecular: 295.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 294.834 Da
• Monoisotopic Mass: 292.837 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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