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Calcium ethyl 3，5-di-tert-butyl-4-hydroxybenzylphosphonate - ≥95%, high purity , CAS No.65140-91-2

COA

Grade & Purity:

≥95%

Cas Number: 65140-91-2
EC Number: 265-512-0
MDL number: MFCD01940765
PubChem CID: 103255

In stock

Item Number

C770048

Grouped product items
SKU	Size	Availability	Price	Qty
C770048-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
C770048-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Phenols Phosphonic acid esters Organic phosphonic acids Organic calcium salts Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Phenylpropane - Phenol - Phosphonic acid ester - Organophosphonic acid derivative - Organophosphonic acid - Organic calcium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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	calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate
INCHI	InChI=1S/2C17H29O4P.Ca/c21-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h29-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2
InChIKey	SJEZDMHBMZPMME-UHFFFAOYSA-L
Smiles	CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]
Isomeric SMILES	CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]
Alternate CAS	65140-91-2
PubChem CID	103255

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	694.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	694.308 Da
Monoisotopic Mass	694.308 Da
Topological Polar Surface Area	139.000 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	376.000
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	3

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