4-Ethyl-2-nitroaniline - ≥97% , CAS No.3663-35-2

CAS: 3663-35-2 Cat. No.: E588895 Formula: C₈H₁₀N₂O₂ Peso molecolare: 166.18

GRADE & PURITY ≥97%

Synonyms

NSC 72325 | AKOS005263755 | BS-53323 | 2-nitro-4-ethylaniline | SCHEMBL1069671 | DTXSID30290997 | 4-ethyl-2-nitroaniline | 4-ETHYL-2-NITRO-ANILINE | NSC72325 | NSC-72325 | RUQAPQLDPWSAQM-UHFFFAOYSA-N | AMY28535 | 4-ethyl-2-nitrobenzenamine | E82102

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

NSC 72325 | AKOS005263755 | BS-53323 | 2-nitro-4-ethylaniline | SCHEMBL1069671 | DTXSID30290997 | 4-ethyl-2-nitroaniline | 4-ETHYL-2-NITRO-ANILINE | NSC72325 | NSC-72325 | RUQAPQLDPWSAQM-UHFFFAOYSA-N | AMY28535 | 4-ethyl-2-nitrobenzenamine | E82102

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504758113
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758113
• Sorrisi canonici: CCC1=CC(=C(C=C1)N)[N+](=O)[O-]
• IUPAC Name: 4-ethyl-2-nitroaniline
• InChIKey: RUQAPQLDPWSAQM-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-2-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
• Isomeri SMILES: CCC1=CC(=C(C=C1)N)[N+](=O)[O-]
• Numero NSC: NSC Number': ['72325
• Peso molecolare: 166.18
• Reaxy-Rn: 2719180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719180&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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 166.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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