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(Carbethoxyethylidene)triphenylphosphorane - ≥95%, high purity , CAS No.5717-37-3

COA

Grade & Purity:

≥95%

Cas Number: 5717-37-3
Molecular Weight: 362.41
Beilstein Registry Number: 16(4)977
EC Number: 227-215-4
PubChem CID: 79792

In stock

Item Number

C579301

Grouped product items
SKU	Size	Availability	Price
C579301-25g	25g	1	$17.90
C579301-100g	100g	1	$52.90
C579301-250g	250g	1	$112.90
C579301-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$202.90

View related series

Phosphine alkane (1)

Basic Description

Synonyms	Ethyl 2-(triphenylphosphoranylidene)propanoate \| (1-Carbethoxyethylidene)triphenylphosphorane \| Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate \| Ethyl 2-(triphenylphosphoranylidene)propionate \| (1-Ethoxycarbonylethylidene)triphenylphosphorane \| 2-(
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

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	Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Triphenylphosphine - Phenylphosphine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - 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	ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate
INCHI	InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKey	KZENFXVDPUMQOE-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
Isomeric SMILES	CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
WGK Germany	3
Molecular Weight	362.41
Beilstein	16(4)977
Reaxy-Rn	757112
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=757112&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
D2314801	Certificate of Analysis	Apr 20, 2023	C579301
D2314809	Certificate of Analysis	Apr 20, 2023	C579301
D2314803	Certificate of Analysis	Apr 20, 2023	C579301
D2314812	Certificate of Analysis	Apr 20, 2023	C579301

Chemical and Physical Properties

Sensitivity	Sensitive to heat and air
Melt Point(°C)	152-163 °C
Molecular Weight	362.400 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	362.144 Da
Monoisotopic Mass	362.144 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	454.000
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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