2-(2,4-Dichlorophenyl)ethylamine - ≥98%(GC) , CAS No.52516-13-9

CAS: 52516-13-9 Cat. No.: D154340 分子式: C₈H₉Cl₂N 分子量: 190.07 Beilstein Registry Number: 12(4)2491 EC番号: 628-892-2

GRADE & PURITY ≥98%(GC)

Synonyms

Q-102013 | 2-(2,4-dichlorophenyl)ethan-1-amine | J-500578 | 2-(2',4'-dichlorophenyl)ethylamine | 2-(2,4-Dichlorophenyl)ethylamine | 2-(2,4-dichloro-phenyl)-ethylamine | Benzeneethanamine, 2,4-dichloro- | 1-(2-Aminoethyl)-2,4-dichlorobenzene | AKOS00020058

Storage

Room temperature

Shipped In

Normal

概要

2,4-Dichlorophenethylamine may be used in the synthesis of cis-(L-Arginyl)amino-N-(2,4-dichlorophenylmethyl)-L-proline 2,4-dichlorophenethylamide. It may be used in the synthesis of various N-alkylglycine.

Specifications

同義語

Q-102013 | 2-(2,4-dichlorophenyl)ethan-1-amine | J-500578 | 2-(2',4'-dichlorophenyl)ethylamine | 2-(2,4-Dichlorophenyl)ethylamine | 2-(2,4-dichloro-phenyl)-ethylamine | Benzeneethanamine, 2,4-dichloro- | 1-(2-Aminoethyl)-2,4-dichlorobenzene | AKOS00020058

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488188156
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188156
• カノニカル・スマイル: C1=CC(=C(C=C1Cl)Cl)CCN
• IUPAC Name: 2-(2,4-dichlorophenyl)ethanamine
• InChIKey: VHJKDOLGYMULOP-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
• 異性体SMILES: C1=CC(=C(C=C1Cl)Cl)CCN
• WGKドイツ: 3
• 分子量: 190.07
• Beilstein: 12(4)2491
• Reaxy-Rn: 3246583
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3246583&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Dichlorobenzenes 2-arylethylamines Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 1,3-dichlorobenzene - 2-arylethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• 感度: Air Sensitive
• 屈折率: 1.565
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113°C
• 沸点（°C）: 75-76°C/0.04 mmHg
• 分子量: 190.070 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.011 Da
• Monoisotopic Mass: 189.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 52516-13-9, the molecular formula is C8H9Cl2N, and the molecular weight is 190.07 g/mol. InChIKey VHJKDOLGYMULOP-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.