2,2-Bis(4-allyloxy-3,5-dibromophenyl)propane - ≥99%(HPLC) , CAS No.25327-89-3

CAS: 25327-89-3 Cat. No.: B152796 Molecular Weight: 624.01 EC Number: 246-850-8

GRADE & PURITY ≥99%(HPLC)

Synonyms

TBBPA-DE | Tetrabromobisphenol A bis (allyl ether) | 5,5'-(Propane-2,2-diyl)bis(2-(allyloxy)-1,3-dibromobenzene) | A877623 | Propane, 2,2-bis(4-(allyloxy)-3,5-dibromophenyl)- | SR 319 | 1,1'-PROPANE-2,2-DIYLBIS(3,5-DIBROMO-4-(PROP-2-EN-1-YLOXY)BENZENE) |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

TBBPA-DE | Tetrabromobisphenol A bis (allyl ether) | 5, 5'-(Propane-2, 2-diyl)bis(2-(allyloxy)-1, 3-dibromobenzene) | A877623 | Propane, 2, 2-bis(4-(allyloxy)-3, 5-dibromophenyl)- | SR 319 | 1, 1'-PROPANE-2, 2-DIYLBIS(3, 5-DIBROMO-4-(PROP-2-EN-1-YLOXY)BENZENE) |

Specifications & Purity

≥99%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 488183541
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183541
• Canonical Smiles: CC(C)(C1=CC(=C(C(=C1)Br)OCC=C)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br
• IUPAC Name: 1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene
• InChIKey: PWXTUWQHMIFLKL-UHFFFAOYSA-N
• INCHI: 1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3
• Isomeric SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OCC=C)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br
• RTECS: DA6126250
• Molecular Weight: 624.01
• Reaxy-Rn: 2483054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2483054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemical and Physical Properties

• Melt Point(°C): 120 °C
• Molecular Weight: 624.000 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 623.816 Da
• Monoisotopic Mass: 619.82 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 433.000
• 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