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

CAS: 5446-05-9 Cat. No.: C193860 Formule: C₆H₃ClINO₂ Poids moléculaire: 283.45 Numéro 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504757955

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 61 °C
• Poids moléculaire: 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