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Diethyl (2-Methylbenzyl)phosphonate - 98%, high purity , CAS No.62778-16-9

COA

Grade & Purity:

≥98%

Cas Number: 62778-16-9
Molecular Weight: 242.25
PubChem CID: 112945
PubChem SID: 504756701

In stock

Item Number

D155196

Grouped product items
SKU	Size	Availability	Price
D155196-1g	1g	5	$18.90
D155196-5g	5g	5	$70.90
D155196-25g	25g	3	$232.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	Phosphonic acid, P-((2-methylphenyl)methyl)-, diethyl ester \| SCHEMBL916350 \| Phosphonic acid,p-[(2-methylphenyl)methyl]-,diethyl ester \| (2-Methylbenzyl)phosphonic Acid Diethyl Ester \| (2-METHYLBENZYL)PHOSPHONICACIDDIETHYLESTER \| 2-(Diethylphosphonomethy
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice 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 Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Dialkyl alkylphosphonates Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid diester - Toluene - Phosphonic acid ester - Organophosphonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Pubchem Sid	504756701
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756701
IUPAC Name	1-(diethoxyphosphorylmethyl)-2-methylbenzene
INCHI	InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChIKey	SAVIMLRIKAZZCZ-UHFFFAOYSA-N
Smiles	CCOP(=O)(CC1=CC=CC=C1C)OCC
Isomeric SMILES	CCOP(=O)(CC1=CC=CC=C1C)OCC
Molecular Weight	242.25
Reaxy-Rn	2941193
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941193&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
B2309760	Certificate of Analysis	Oct 24, 2022	D155196
B2309416	Certificate of Analysis	Oct 24, 2022	D155196
B2309716	Certificate of Analysis	Oct 24, 2022	D155196

Chemical and Physical Properties

Refractive Index	1.5
Molecular Weight	242.250 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	242.107 Da
Monoisotopic Mass	242.107 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	232.000
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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