Quintozene（PCNB） - ≥95% , CAS No.82-68-8

CAS: 82-68-8 Cat. No.: Q108787 分子式: C₆Cl₅NO₂ 分子量: 295.33 Beilstein Registry Number: 1914324 EC番号: 201-435-0

GRADE & PURITY ≥95%

Synonyms

PCNB | 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)

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

同義語

PCNB | 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)

仕様と純度

≥95%

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

純度

≥95%

名前と識別子

パブケム・シド

488180139

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180139

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

UN番号

3077

包装グループ

III

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

Discover Target: PPARG

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KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Discover Target: THRB

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

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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関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 328°C
• 融点（°C）: 146°C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 82-68-8, the molecular formula is C6Cl5NO2, and the molecular weight is 295.33 g/mol. InChIKey LKPLKUMXSAEKID-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.