2-Chloro-4-nitrobenzonitrile - ≥98% , CAS No.28163-00-0

CAS: 28163-00-0 Cat. No.: C133777 Fórmula: C₇H₃ClN₂O₂ Peso molecular: 182.57 Número CE: 679-112-2

GRADE & PURITY ≥98%

Synonyms

DTXSID70182428 | SY007287 | AKOS005073018 | AC-26147 | FT-0611791 | Benzonitrile, 2-chloro-4-nitro- | 2-Chloro-4-nitrobenzonitrile | 2-chloro-4-nitro-benzonitrile | JS-188C | SCHEMBL2477528 | A920970 | C3122 | EN300-133745 | J-508776 | MFCD00052203

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID70182428 | SY007287 | AKOS005073018 | AC-26147 | FT-0611791 | Benzonitrile, 2-chloro-4-nitro- | 2-Chloro-4-nitrobenzonitrile | 2-chloro-4-nitro-benzonitrile | JS-188C | SCHEMBL2477528 | A920970 | C3122 | EN300-133745 | J-508776 | MFCD00052203

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488188116

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188116

Sorrisos canónicos

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

IUPAC Name

2-chloro-4-nitrobenzonitrile

InChIKey

ZIGQFRQZYVQQDR-UHFFFAOYSA-N

INCHI

1S/C7H3ClN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H

SMILES isoméricas

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

Peso molecular

182.57

Reaxy-Rn

2047879

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047879&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 Benzonitriles Chlorobenzenes 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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 81 °C
• Peso molecular: 182.560 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 181.988 Da
• Monoisotopic Mass: 181.988 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 229.000
• 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

How should this product be stored?

Store at room temperature.

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 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 28163-00-0, the molecular formula is C7H3ClN2O2, and the molecular weight is 182.57 g/mol. InChIKey ZIGQFRQZYVQQDR-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.