4-BROMOPHENYL-2,3-EPOXYPROPYL ETHER - ≥95% , CAS No.2212-06-8

CAS: 2212-06-8 Cat. No.: B168704 Summenformel: C₉H₉BrO₂ Molekulargewicht: 229.075 EG-Nummer: 218-656-3

GRADE & PURITY ≥95%

Synonyms

AKOS000200304 | 4-BROMOPHENYL-2,3-EPOXYPROPYL ETHER | Propane, 1-(p-bromophenoxy)-2,3-epoxy- | EINECS 271-551-4 | BRN 0383686 | ((p-Bromophenoxy)methyl)oxirane | 4-17-00-00992 (Beilstein Handbook Reference) | Z104477294 | A928550 | AS-9940 | SY263296 | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS000200304 | 4-BROMOPHENYL-2,3-EPOXYPROPYL ETHER | Propane, 1-(p-bromophenoxy)-2,3-epoxy- | EINECS 271-551-4 | BRN 0383686 | ((p-Bromophenoxy)methyl)oxirane | 4-17-00-00992 (Beilstein Handbook Reference) | Z104477294 | A928550 | AS-9940 | SY263296 | 2-

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504756533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756533
• Kanonisches Lächeln: C1C(O1)COC2=CC=C(C=C2)Br
• IUPAC Name: 2-[(4-bromophenoxy)methyl]oxirane
• InChIKey: YKUYKENINQNULY-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
• Isomere SMILES: C1C(O1)COC2=CC=C(C=C2)Br
• Molekulargewicht: 229.075
• Reaxy-Rn: 383686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Oxacyclic compounds Epoxides Dialkyl ethers Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 229.070 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.979 Da
• Monoisotopic Mass: 227.979 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1