3-Chloro-5-nitroaniline - ≥98% , CAS No.5344-44-5

CAS: 5344-44-5 Cat. No.: C193796 Formule: C₆H₅ClN₂O₂ Poids moléculaire: 172.57

GRADE & PURITY ≥98%

Synonyms

DTXSID00277199 | A870726 | Benzenamine, 3-chloro-5-nitro- | EN300-98258 | NSC1117 | NSC-1117 | BCP20576 | SCHEMBL1532381 | DS-16094 | MFCD01009865 | Aniline, 3-chloro-5-nitro- | SY117446 | AKOS016007419 | 3-Chloro-5-nitrobenzenamine | CL9635 | 3-chloro-5-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

DTXSID00277199 | A870726 | Benzenamine, 3-chloro-5-nitro- | EN300-98258 | NSC1117 | NSC-1117 | BCP20576 | SCHEMBL1532381 | DS-16094 | MFCD01009865 | Aniline, 3-chloro-5-nitro- | SY117446 | AKOS016007419 | 3-Chloro-5-nitrobenzenamine | CL9635 | 3-chloro-5-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

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

• Sourires canoniques: C1=C(C=C(C=C1[N+](=O)[O-])Cl)N
• IUPAC Name: 3-chloro-5-nitroaniline
• InChIKey: RXAFMJXGEACRGX-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
• Isomères SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Cl)N
• Poids moléculaire: 172.57
• Reaxy-Rn: 1944984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944984&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 Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

• Poids moléculaire: 172.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.004 Da
• Monoisotopic Mass: 172.004 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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