Pentabromophenyl acrylate - ≥98% , CAS No.52660-82-9

CAS: 52660-82-9 Cat. No.: P353720 Fórmula: Br₅C₆OCOCH=CH₂ Peso molecular: 542.64 Número EC: 622-710-5 PubChem CID: 3465231

GRADE & PURITY ≥98%

Synonyms

perbromophenyl acrylate | SCHEMBL42339 | Pentabromophenyl acrylate | AKOS025295423 | Pentabromophenyl acrylate, 96% | (2,3,4,5,6-pentabromophenyl) Prop-2-enoate | MFCD00080604 | DTXSID20392732 | FT-0737159 | pentabromophenylacrylate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application:

Monomer used to make high refractive index polymer for optical waveguides.

Pentabromophenyl acrylate can form copolymers with acrylonitrile in aqueous emulsions or in the presence of a free radical initiator.

Specifications

Sinónimos

perbromophenyl acrylate | SCHEMBL42339 | Pentabromophenyl acrylate | AKOS025295423 | Pentabromophenyl acrylate, 96% | (2,3,4,5,6-pentabromophenyl) Prop-2-enoate | MFCD00080604 | DTXSID20392732 | FT-0737159 | pentabromophenylacrylate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508811687

Sonrisas canónicas

C=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

IUPAC Name

(2,3,4,5,6-pentabromophenyl) prop-2-enoate

InChIKey

BKKVYNMMVYEBGR-UHFFFAOYSA-N

INCHI

1S/C9H3Br5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2

Isómeros SMILES

C=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

WGK Alemania

3

PubChem CID

3465231

Peso molecular

542.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Bromobenzenes Aryl bromides Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Acrylic acid ester - Aryl halide - Monocyclic benzene moiety - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

Propiedades químicas y físicas

• Peso molecular: 542.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 541.601 Da
• Monoisotopic Mass: 537.605 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• 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