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(CYANOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE , CAS No.15898-47-2

COA

Grade & Purity:

≥97%

Cas Number: 15898-47-2
Molecular Weight: 382.23
PubChem CID: 11811037

In stock

Item Number

C167629

Grouped product items
SKU	Size	Availability	Price
C167629-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
C167629-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$226.90
C167629-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

Basic Description

Synonyms	(Cyanomethyl)triphenylphosphonium bromide \| 15898-47-2 \| Phosphonium, (cyanomethyl)triphenyl-, bromide (1:1) \| (Cyanomethyl)triphenylphosphoniumbromide \| cyanomethyl(triphenyl)phosphanium;bromide \| Cyanomethyl triphenylphosphonium bromide \| MFCD00031671 \| C20H17BrNP \| (C
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylphosphines and derivatives

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	Nitriles Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Triphenylphosphine - Phenylphosphine - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organonitrogen compound - Organic cation - 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
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

Names and Identifiers

IUPAC Name	cyanomethyl(triphenyl)phosphanium;bromide
INCHI	InChI=1S/C20H17NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
InChIKey	QBGFELJINDMTMH-UHFFFAOYSA-M
Smiles	C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Isomeric SMILES	C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Molecular Weight	382.23
Reaxy-Rn	4171479
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4171479&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	382.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	381.028 Da
Monoisotopic Mass	381.028 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	332.000
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	2

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