Dichlobenil Solution in Methanol - 100μg/mL in Methanol，Uncertainty 3% , CAS No.1194-65-6

CAS: 1194-65-6 Cat. No.: BWY396071 Formula: C₇H₃Cl₂N Peso molecolare: 172.01 Numero EC: 214-787-5

GRADE & PURITY 100μg/mL in Methanol，Uncertainty 3%

Synonyms

Casaron | DU-Sprex | FT-0610598 | NCGC00094529-03 | Q-200961 | Dichlobenil 10 microg/mL in Cyclohexane | Dichlobenil 100 microg/mL in Acetonitrile | Fydumas (Salt/Mix) | Fyducit (Salt/Mix) | 2,6-Dichlorophenyl cyanide | Dyclomec | H 1313 | NCGC00094529-01

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

Casaron | DU-Sprex | FT-0610598 | NCGC00094529-03 | Q-200961 | Dichlobenil 10 microg/mL in Cyclohexane | Dichlobenil 100 microg/mL in Acetonitrile | Fydumas (Salt/Mix) | Fyducit (Salt/Mix) | 2,6-Dichlorophenyl cyanide | Dyclomec | H 1313 | NCGC00094529-01

Specifiche e purezza

100μg/mL in Methanol，Uncertainty 3%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

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

Obiettivi associati (umani)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

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

Discover Target: SLCO1B3

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

Obiettivi associati (non umani)

Pythium aphanidermatum (174 Activities)

Explore this target

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

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

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1194-65-6, the molecular formula is C7H3Cl2N, and the molecular weight is 172.01 g/mol. InChIKey YOYAIZYFCNQIRF-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.