4-Ethoxy-2-fluoroaniline, HCl - ≥98% , CAS No.380430-46-6

CAS: 380430-46-6 Cat. No.: E184142 分子式: C₈H₁₁ClFNO 分子量: 191.6 PubChem CID: 44886913

GRADE & PURITY ≥98%

Synonyms

4-ethoxy-2-fluoroaniline;hydrochloride | DTXSID50661201 | 4-Ethoxy-2-fluoroaniline,hydrochloride | 4-Ethoxy-2-fluoroaniline hydrochloride | AB09444 | EN300-254832 | Z2327883785 | SCHEMBL3975694 | 4-Ethoxy-2-fluoroaniline, HCl | MFCD01632191 | 4-Ethoxy-2-f

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4-ethoxy-2-fluoroaniline;hydrochloride | DTXSID50661201 | 4-Ethoxy-2-fluoroaniline,hydrochloride | 4-Ethoxy-2-fluoroaniline hydrochloride | AB09444 | EN300-254832 | Z2327883785 | SCHEMBL3975694 | 4-Ethoxy-2-fluoroaniline, HCl | MFCD01632191 | 4-Ethoxy-2-f

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCOC1=CC(=C(C=C1)N)F.Cl
• IUPAC Name: 4-ethoxy-2-fluoroaniline;hydrochloride
• InChIKey: DJLOCUSOGLHJOC-UHFFFAOYSA-N
• INCHI: 1S/C8H10FNO.ClH/c1-2-11-6-3-4-8(10)7(9)5-6;/h3-5H,2,10H2,1H3;1H
• 異性体SMILES: CCOC1=CC(=C(C=C1)N)F.Cl
• PubChem CID: 44886913
• 分子量: 191.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Primary amines Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

化学的性質と物理的性質

• 分子量: 191.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.051 Da
• Monoisotopic Mass: 191.051 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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: 2

XLogP3

よくある質問

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.

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 380430-46-6, the molecular formula is C8H11ClFNO, and the molecular weight is 191.6 g/mol. InChIKey DJLOCUSOGLHJOC-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.