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

CAS: 1194-65-6 Cat. No.: D119419 Summenformel: C₇H₃Cl₂N Molekulargewicht: 172.01 EG-Nummer: 214-787-5

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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 Show more

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528771950

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

UN-Nummer

3082

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 143-146°C
• Molekulargewicht: 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