Dichlobenil - analytical standard , CAS No.1194-65-6

CAS: 1194-65-6 Cat. No.: D119419 Formula: C₇H₃Cl₂N Peso molecolare: 172.01 Numero EC: 214-787-5

QUALITÀ & PUREZZA Analytical standard

Synonyms

Casaron|DU-Sprex|Fydumas (Salt/Mix)|Fyducit (Salt/Mix)|2,6-Dichlorophenyl cyanide|Dyclomec|H 1313|2,6-DICHLOROBENZNITRILE|dichlobenil|Dichlobenil [ANSI:BSI:ISO]|DICHLOBENIL [HSDB]|Dichlobanil|BH Prefix D|Casoron G20 SR|Casoron|Norosac|2,6-DBN|Dichlobenil [ISO]|2,4-Dbn|Benzonitrile, 2,6-dichloro-|Casoron W-50|Carsoron|Casoron gsr|Fydulan G (Salt/Mix)|(14-C)2,6-Dichlorobenzonitrile|H 133|Code H 133|2,6-Dichlorbenzonitril|2,6-Dichlorbenzonitril [German]|Casoron 133|Niagara 5,996|2-NITRO-N-PHENYLBENZENAMINE|Niagara 5006|DBN (the herbicide)|Benzonitrile,6-dichloro-|DBN (pesticide)|2,6-Dichlorobenzonitrile|2,6-dichloro-benzonitrile|Cyclomec|DICHLOBENIL [MI]|dichlobenil, dichlobanil|Casoron G4|Casoron G-4|Decabane|Nia 5996|Surfassol

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Casaron | DU-Sprex | Fydumas (Salt/Mix) | Fyducit (Salt/Mix) | 2,6-Dichlorophenyl cyanide | Dyclomec | H 1313 | 2,6-DICHLOROBENZNITRILE | dichlobenil | Dichlobenil [ANSI:BSI:ISO] | DICHLOBENIL [HSDB] | Dichlobanil | BH Prefix D | Casoron G20 SR | Casoron | Norosac | 2,6-DBN | Dichlobenil [ISO] | 2,4-Dbn | Benzonitrile, 2,6-dichloro- | Cas Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

528771950

Sorrisi canonici

C1=CC(=C(C(=C1)Cl)C#N)Cl

IUPAC Name

2,6-dichlorobenzonitrile

InChIKey

YOYAIZYFCNQIRF-UHFFFAOYSA-N

INCHI

1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Isomeri SMILES

C1=CC(=C(C(=C1)Cl)C#N)Cl

WGK Germania

2

Numero UN

3082

Gruppo di imballaggio

III

Peso molecolare

172.01

Reaxy-Rn

1909167

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzonitriles Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Nitrile herbicides

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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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Obiettivi associati (non umani)

Pythium aphanidermatum (174 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 143-146°C
• Peso molecolare: 172.010 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.964 Da
• Monoisotopic Mass: 170.964 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 150.000
• 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