2,3-Dichlorobenzonitrile - ≥98% , CAS No.6574-97-6

CAS: 6574-97-6 Cat. No.: D111110 Formule: C₇H₃Cl₂N Poids moléculaire: 172.01 Numéro CE: 625-309-3

GRADE & PURITY ≥98%

Synonyms

AC-16241 | dichlorobenzonitrile | 2,3-Dichlorobenzonitrile | DTXSID101335881 | SY017093 | 2,3-Dichlorophenyl cyanide | FT-0609557 | AKOS000281469 | PS-4317 | AI3-33363 | InChI=1/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H | AM20060062 | Benzonitrile, dichloro-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AC-16241 | dichlorobenzonitrile | 2,3-Dichlorobenzonitrile | DTXSID101335881 | SY017093 | 2,3-Dichlorophenyl cyanide | FT-0609557 | AKOS000281469 | PS-4317 | AI3-33363 | InChI=1/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H | AM20060062 | Benzonitrile, dichloro-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488191365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191365

Sourires canoniques

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

IUPAC Name

2,3-dichlorobenzonitrile

InChIKey

OHDYZVVLNPXKDX-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

WGK Allemagne

3

Numéro ONU

3276

Poids moléculaire

172.01

Reaxy-Rn

2438753

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438753&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: 1,2-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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

Propriétés chimiques et physiques

• Solubilité: It is miscible with water.
• Point de fusion (°C): 62-65°C
• Poids moléculaire: 172.010 g/mol
• XLogP3: 2.900
• 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: 160.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 6574-97-6, the molecular formula is C7H3Cl2N, and the molecular weight is 172.01 g/mol. InChIKey OHDYZVVLNPXKDX-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.