2,5-Dichlorobenzonitrile - ≥97% , CAS No.21663-61-6

CAS: 21663-61-6 Cat. No.: D113543 Fórmula: C₇H₃C₁₂N Peso molecular: 172.01 Beilstein Registry Number: 9(3)1377 Número CE: 244-518-7

GRAU & PUREZA ≥97%

Synonyms

D4018 | EINECS 244-518-7 | 2,5-Dichlorobenzonitrile | 2,5-dichloro-benzonitrile | EN300-172873 | STK802217 | AMY36994 | MFCD00019741 | NSC 166361 | Benzonitrile, 2,5-dichloro- | SY017110 | DTXSID70176049 | 2,5-Dichlorobenzonitrile, 97% | AC-23451 | W-1075

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

D4018 | EINECS 244-518-7 | 2,5-Dichlorobenzonitrile | 2,5-dichloro-benzonitrile | EN300-172873 | STK802217 | AMY36994 | MFCD00019741 | NSC 166361 | Benzonitrile, 2,5-dichloro- | SY017110 | DTXSID70176049 | 2,5-Dichlorobenzonitrile, 97% | AC-23451 | W-1075

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488186537

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186537

Sorrisos canónicos

C1=CC(=C(C=C1Cl)C#N)Cl

IUPAC Name

2,5-dichlorobenzonitrile

InChIKey

LNGWRTKJZCBXGT-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=CC(=C(C=C1Cl)C#N)Cl

WGK Alemanha

3

Número UN

3276

Peso molecular

172.01

Beilstein

9(3)1377

Reaxy-Rn

2045293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045293&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: 1,4-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 130-132°C
• Peso molecular: 172.010 g/mol
• XLogP3: 2.600
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 21663-61-6, the molecular formula is C7H3C12N, and the molecular weight is 172.01 g/mol. InChIKey LNGWRTKJZCBXGT-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.