2-ethyl-5-nitroaniline - ≥98% , CAS No.20191-74-6

CAS: 20191-74-6 Cat. No.: E131834 Formula: C₈H₁₀N₂O₂ Molecular Weight: 166.17700 EC Number: 606-462-5

GRADE & PURITY ≥98%

Synonyms

4-Nitro-2-amino-1-ethylbenzene | AC-27055 | MMZWMCKTKJKIMC-UHFFFAOYSA-N | AMY21006 | SY017465 | 2-Ethyl-5-nitrobenzenamine | 2-ethyl-5-nitro-benzenamine | 2-Ethyl-5-nitrobenzenamine ,98% | A4400 | DS-5221 | 2-ethyl-5-nitroaniline | J-509323 | DTXSID004000

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Nitro-2-amino-1-ethylbenzene | AC-27055 | MMZWMCKTKJKIMC-UHFFFAOYSA-N | AMY21006 | SY017465 | 2-Ethyl-5-nitrobenzenamine | 2-ethyl-5-nitro-benzenamine | 2-Ethyl-5-nitrobenzenamine ,98% | A4400 | DS-5221 | 2-ethyl-5-nitroaniline | J-509323 | DTXSID004000

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762874
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762874
• Canonical Smiles: CCC1=C(C=C(C=C1)[N+](=O)[O-])N
• IUPAC Name: 2-ethyl-5-nitroaniline
• InChIKey: MMZWMCKTKJKIMC-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
• Isomeric SMILES: CCC1=C(C=C(C=C1)[N+](=O)[O-])N
• Molecular Weight: 166.17700
• Reaxy-Rn: 2803199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• 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 - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 60 °C
• Molecular Weight: 166.180 g/mol
• XLogP3: 2.300
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20191-74-6, the molecular formula is C8H10N2O2, and the molecular weight is 166.17700 g/mol. InChIKey MMZWMCKTKJKIMC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.