3,4-Ethylenedioxyaniline - ≥98% , CAS No.22013-33-8

CAS: 22013-33-8 Cat. No.: E156480 Summenformel: C₈H₉NO₂ Molekulargewicht: 151.17 EG-Nummer: 244-718-4

GRADE & PURITY ≥98%

Synonyms

2,3-dihydro-benzo[1,4]dioxin-6-ylamine | 2,3-dihydrobenzo[1,4]dioxin-6-ylamine | Oprea1_691270 | 1,4-Benzodioxan-6-amine, >=98% | 6-Amino-1,4-benzodioxane | 6-amino-2,3-dihydro-benzo[1,4]dioxine | AS-15767 | 6-Amino-1,4-benzodioxan | AKOS000112549 | 3-bro

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2,3-dihydro-benzo[1,4]dioxin-6-ylamine | 2,3-dihydrobenzo[1,4]dioxin-6-ylamine | Oprea1_691270 | 1,4-Benzodioxan-6-amine, >=98% | 6-Amino-1,4-benzodioxane | 6-amino-2,3-dihydro-benzo[1,4]dioxine | AS-15767 | 6-Amino-1,4-benzodioxan | AKOS000112549 | 3-bro

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488186545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186545
• Kanonisches Lächeln: C1COC2=C(O1)C=CC(=C2)N
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-amine
• InChIKey: BZKOZYWGZKRTIB-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2
• Isomere SMILES: C1COC2=C(O1)C=CC(=C2)N
• WGK Deutschland: 3
• Molekulargewicht: 151.17
• Reaxy-Rn: 6447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Oxacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air & Light sensitive
• Brechungsindex: 1.599
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 162°C/9mmHg
• Schmelzpunkt (°C): 29-31°C
• Molekulargewicht: 151.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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