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

CAS: 82-68-8 Cat. No.: Q108782 Summenformel: C₆Cl₅NO₂ Molekulargewicht: 295.33 Beilstein Registry Number: 1914324 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

for plant cell culture, ≥94%

Storage

Room temperature,Desiccated

Verschickt in

FedEx DG Service

Note

Geeignet für Pflanzenzellkulturen

Reinheit

≥94%

Namen und Kennungen

• Pubchem Sid: 508812339
• Kanonisches Lächeln: 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
• Isomere SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
• WGK Deutschland: 2
• UN-Nummer: 3077
• Verpackungsgruppe: III
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 328°C
• Schmelzpunkt (°C): 146°C
• Molekulargewicht: 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