4-Chloro-5-fluoro-2-nitroaniline - ≥97% , CAS No.428871-64-1

CAS: 428871-64-1 Cat. No.: C193381 Fórmula: C₆H₄ClFN₂O₂ Peso molecular: 190.56

GRADE & PURITY ≥97%

Synonyms

4-Chloro-5-fluoro-2-nitroaniline|428871-64-1|2-Amino-5-chloro-4-fluoronitrobenzene|MFCD12828238|SCHEMBL3574721|DTXSID00440321|IVUBVUIBVDTNAT-UHFFFAOYSA-N|2-Nitro-4-chloro-5-Fluoroaniline|AMY14590|AKOS014313944|4-chloro-5-fluoro-2-nitro-phenylamine|DS-2091

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Chloro-5-fluoro-2-nitroaniline | 428871-64-1 | 2-Amino-5-chloro-4-fluoronitrobenzene | MFCD12828238 | SCHEMBL3574721 | DTXSID00440321 | IVUBVUIBVDTNAT-UHFFFAOYSA-N | 2-Nitro-4-chloro-5-Fluoroaniline | AMY14590 | AKOS014313944 | 4-chloro-5-fluoro-2-nitro-phenylamine | DS-2091

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])N

IUPAC Name

4-chloro-5-fluoro-2-nitroaniline

InChIKey

IVUBVUIBVDTNAT-UHFFFAOYSA-N

INCHI

1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2

SMILES isoméricas

C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])N

Peso molecular

190.56

Reaxy-Rn

7291678

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7291678&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 Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organofluorides Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl chloride - 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 oxide - Organochloride - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Amine - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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

• Peso molecular: 190.560 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.995 Da
• Monoisotopic Mass: 189.995 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• 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