2-Ethylaniline - ≥98% , CAS No.578-54-1

CAS: 578-54-1 Cat. No.: E106226 Molecular Weight: 121.18 Beilstein Registry Number: 1841268 EC Number: 209-424-2

GRADE & PURITY ≥98%

Synonyms

F2190-0421 | PD127635 | 2-ETHYLANILINE [HSDB] | UN2273 | 2-Ethylaniline, 98% | 2-Ethylphenylamine | 2-Ethyl-phenylamine | AI3-26296 | A831636 | BENZENE,1-AMINO,2-ETHYL | 2-Ethylbenzeneamine | NSC-62014 | UNII-GR557N47K6 | 2-Ethylbenzenamine | NSC 62014 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

F2190-0421 | PD127635 | 2-ETHYLANILINE [HSDB] | UN2273 | 2-Ethylaniline, 98% | 2-Ethylphenylamine | 2-Ethyl-phenylamine | AI3-26296 | A831636 | BENZENE, 1-AMINO, 2-ETHYL | 2-Ethylbenzeneamine | NSC-62014 | UNII-GR557N47K6 | 2-Ethylbenzenamine | NSC 62014 |

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181312
• Canonical Smiles: CCC1=CC=CC=C1N
• IUPAC Name: 2-ethylaniline
• InChIKey: MLPVBIWIRCKMJV-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3
• Isomeric SMILES: CCC1=CC=CC=C1N
• WGK Germany: 3
• RTECS: BX9800000
• UN Number: 2273
• Packing Group: III
• Molecular Weight: 121.18
• Beilstein: 1841268
• Reaxy-Rn: 1841268
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1841268&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

• Solubility: Insoluble in water, soluble in ethanol, toluene, etc.
• Sensitivity: Air sensitive ；Light sensitive
• Refractive Index: 1.559
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93.4 °C
• Boil Point(°C): 210°C
• Melt Point(°C): -44°C
• Molecular Weight: 121.180 g/mol
• XLogP3: 1.700
• 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: 80.600
• 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

References

1. Yunhuan Wu, Guipeng Quan, Bao Gong, Weiwen Li, Shengtao Dai, Daimei Li, Yuhui Ao, Linghan Xiao, Yujing Liu.  (2024)  Construction of “hard-soft-hard” structures with ammonium cerium nitrate/sodium alginate/carbon nanotubes on carbon fiber surfaces for superior mechanical.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.28301]

2. Xuexin Yuan, Qiqi Zhou, Yu Chen, Hai-Jian Yang, Qingqing Jiang, Juncheng Hu, Cun-Yue Guo.  (2024)  Photocatalytic N-Formylation of CO2 with Amines Catalyzed by Diethyltriamine Pentaacetic Acid.  C-Journal of Carbon Research,  10  (3): (62).  [PMID:] [10.3390/c10030062]