4-Ethylaniline - ≥99% , CAS No.589-16-2

CAS: 589-16-2 Cat. No.: E102230 Formula: C₈H₁₁N Molecular Weight: 121.18 Beilstein Registry Number: 774319 EC Number: 209-637-0

GRADE & PURITY ≥99%

Synonyms

p-Ethylaminobenzene | STK943766 | 4-(ethyl)-aniline | AM806842 | 4-Aminoethylbenzene | AKOS000119392 | E0061 | Benzenamine, 4-ethyl- | ETHYL ANILINE, P- | InChI=1/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H | F2190-0422 | SCHEMBL4409 | NSC 62015 | 4-ETHYLA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

p-Ethylaminobenzene | STK943766 | 4-(ethyl)-aniline | AM806842 | 4-Aminoethylbenzene | AKOS000119392 | E0061 | Benzenamine, 4-ethyl- | ETHYL ANILINE, P- | InChI=1/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H | F2190-0422 | SCHEMBL4409 | NSC 62015 | 4-ETHYLA

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504752140

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752140

Canonical Smiles

CCC1=CC=C(C=C1)N

IUPAC Name

4-ethylaniline

InChIKey

HRXZRAXKKNUKRF-UHFFFAOYSA-N

INCHI

1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3

Isomeric SMILES

CCC1=CC=C(C=C1)N

WGK Germany

3

RTECS

BX9900000

UN Number

2810

Packing Group

III

Molecular Weight

121.18

Beilstein

774319

Reaxy-Rn

774319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774319&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: Light Sensitive,Air Sensitive
• Refractive Index: 1.554
• Flash Point(°F): 185 °F
• Flash Point(°C): 97°C
• Boil Point(°C): 216°C
• Melt Point(°C): -5°C
• Molecular Weight: 121.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 589-16-2, the molecular formula is C8H11N, and the molecular weight is 121.18 g/mol. InChIKey HRXZRAXKKNUKRF-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.