4-Chloro-1-iodo-2-nitrobenzene - ≥98% , CAS No.5446-05-9

CAS: 5446-05-9 Cat. No.: C193860 Fórmula: C₆H₃ClINO₂ Peso molecular: 283.45 Número CE: 611-150-7

GRADE & PURITY ≥98%

Synonyms

SY029974 | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N | Benzene, 4-chloro-1-iodo-2-nitro- | FT-0708143 | 4-chloro-1-iodo-2-nitrobenzene | 2-Nitro-4-chloroiodobenzene | A924098 | AS-19715 | SCHEMBL5157523 | Z397593290 | NSC 17163 | DTXSID90280495 | MFCD11226294 | 4-choro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY029974 | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N | Benzene, 4-chloro-1-iodo-2-nitro- | FT-0708143 | 4-chloro-1-iodo-2-nitrobenzene | 2-Nitro-4-chloroiodobenzene | A924098 | AS-19715 | SCHEMBL5157523 | Z397593290 | NSC 17163 | DTXSID90280495 | MFCD11226294 | 4-choro

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504757955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757955

Sorrisos canónicos

C1=CC(=C(C=C1Cl)[N+](=O)[O-])I

IUPAC Name

4-chloro-1-iodo-2-nitrobenzene

InChIKey

ZLQFWQOAQQBLLZ-UHFFFAOYSA-N

INCHI

1S/C6H3ClINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

SMILES isoméricas

C1=CC(=C(C=C1Cl)[N+](=O)[O-])I

Peso molecular

283.45

Reaxy-Rn

1950432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950432&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 Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - 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 - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organoiodide - 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

• Ponto de fusão (°C): 61 °C
• Peso molecular: 283.450 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 282.89 Da
• Monoisotopic Mass: 282.89 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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