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

CAS: 2212-06-8 Cat. No.: B168704 Fórmula: C₉H₉BrO₂ Peso molecular: 229.075 Número CE: 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

Sinónimos

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-

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504756533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756533
• Sorrisos canónicos: 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
• SMILES isoméricas: C1C(O1)COC2=CC=C(C=C2)Br
• Peso molecular: 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
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 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