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Bis(2-cyanoethyl)phenylphosphine - 97%, high purity , CAS No.15909-92-9
Discover Bis(2-cyanoethyl)phenylphosphine by Aladdin Scientific in 97% for only $299.90. Available - in Ligands at Aladdin Scientific. Ligands & Chiral Ligands Tags: .
Basic Description
Synonyms
LIYGDNBFEBKBBZ-UHFFFAOYSA-N | SCHEMBL10580325 | FT-0637296 | BIS(2-CYANOETHYL)PHENYLPHOSPHINE | 3-[2-cyanoethyl(phenyl)phosphanyl]propanenitrile | DTXSID50321555 | bis-(beta-cyanoethyl)-phenylphosphine | Propanenitrile,3,3'-(phenylphosphinidene)bis- | 3,3
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organic phosphines and derivatives Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Phosphine - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
IUPAC Name
3-[2-cyanoethyl(phenyl)phosphanyl]propanenitrile
INCHI
InChI=1S/C12H13N2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2
InChIKey
LIYGDNBFEBKBBZ-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)P(CCC#N)CCC#N
Isomeric SMILES
C1=CC=C(C=C1)P(CCC#N)CCC#N
Molecular Weight
216.22
Reaxy-Rn
958149
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=958149&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive
Boil Point(°C)
176-178°C/0.5 mm
Melt Point(°C)
72-73°C
Molecular Weight
216.220 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
216.082 Da
Monoisotopic Mass
216.082 Da
Topological Polar Surface Area
47.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
244.000
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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