2,3-Dichloro-6-nitrobenzonitrile - ≥98% , CAS No.2112-22-3

CAS: 2112-22-3 Cat. No.: D182740 Formula: C₇H₂Cl₂N₂O₂ Peso molecolare: 217 Numero EC: 640-513-2

GRADE & PURITY ≥98%

Synonyms

DTXSID20371087 | AMY778 | MFCD00728596 | SCHEMBL272708 | 2,3-Dichloro-6-nitrobenzonitrile, 97% | A22820 | 2-Cyano-3,4-dichloronitrobenzene | F11635 | FT-0609546 | AS-9167 | 2,3-Dichloro-6-nitrobenzonitrile | AKOS015850387 | RDFDRMZYAXQLRT-UHFFFAOYSA-N | B

Storage

Room temperature

Shipped In

Normal

Panoramica

2,3-Dichloro-6-nitrobenzonitrile can be synthesized from 4-nitro-1,2,3-trichlorobenzene. It is formed as an intermediate during the synthesis of anagrelide.

Specifications

Sinonimi

DTXSID20371087 | AMY778 | MFCD00728596 | SCHEMBL272708 | 2,3-Dichloro-6-nitrobenzonitrile, 97% | A22820 | 2-Cyano-3,4-dichloronitrobenzene | F11635 | FT-0609546 | AS-9167 | 2,3-Dichloro-6-nitrobenzonitrile | AKOS015850387 | RDFDRMZYAXQLRT-UHFFFAOYSA-N | B

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488192772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192772

Sorrisi canonici

C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl

IUPAC Name

2,3-dichloro-6-nitrobenzonitrile

InChIKey

RDFDRMZYAXQLRT-UHFFFAOYSA-N

INCHI

1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)4(3-10)7(5)9/h1-2H

Isomeri SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl

WGK Germania

3

Peso molecolare

217

Reaxy-Rn

2109741

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2109741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dichlorobenzenes Benzonitriles Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Benzonitrile - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Nitrile - Carbonitrile - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 93-96°C
• Peso molecolare: 217.010 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.949 Da
• Monoisotopic Mass: 215.949 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 257.000
• 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

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 2112-22-3, the molecular formula is C7H2Cl2N2O2, and the molecular weight is 217 g/mol. InChIKey RDFDRMZYAXQLRT-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.