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

CAS: 52660-82-9 Cat. No.: P353720 분자식: Br₅C₆OCOCH=CH₂ 분자량: 542.64 EC 번호: 622-710-5 PubChem CID: 3465231

등급 & 순도 ≥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

개요

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.

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

508811687

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

3465231

분자량

542.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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