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Bis(3-bromophenyl)phenylphosphine Oxide - 98%, high purity , CAS No.1163698-32-5
Basic Description
Synonyms
MFCD32062854 | 1-bromo-3-[(3-bromophenyl)-phenylphosphoryl]benzene | SY237589 | 1163698-32-5 | B5531 | Bis(3-bromophenyl)phenylphosphine oxide | D89141 | bis(3-bromophenyl)(phenyl)phosphine oxide | SCHEMBL13074801
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylphosphines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylphosphines and derivatives
Alternative Parents
Bromobenzenes Aryl bromides Organophosphorus compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Triphenylphosphine - Phenylphosphine - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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.
Names and Identifiers
Pubchem Sid
504771708
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771708
IUPAC Name
1-bromo-3-[(3-bromophenyl)-phenylphosphoryl]benzene
INCHI
InChI=1S/C18H13Br2OP/c19-14-6-4-10-17(12-14)22(21,16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h1-13H
InChIKey
PKHKPLVXRYPWPO-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)P(=O)(C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
Isomeric SMILES
C1=CC=C(C=C1)P(=O)(C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
Molecular Weight
436.08
Reaxy-Rn
30554697
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30554697&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
110 °C
Molecular Weight
436.100 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
435.905 Da
Monoisotopic Mass
433.907 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
382.000
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
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E2430152