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Bis(2,4-di-tert-butylphenyl) hydrogen phosphate - 97%, high purity , CAS No.69284-93-1

COA

Grade & Purity:

≥97%

Cas Number: 69284-93-1
Molecular Weight: 474.61
EC Number: ‘811-566-0
PubChem CID: 21199342

In stock

Item Number

B589905

Grouped product items
SKU	Size	Availability	Price
B589905-100mg	100mg	2	$78.90
B589905-250mg	250mg	1	$134.90
B589905-1g	1g	2	$373.90

Basic Description

Synonyms	DTXSID501016851 \| Bis(2,4-di-tert-butylphenyl) phosphate \| BIS(2,4-DI-TERT-BUTYLPHENOXY)PHOSPHINIC ACID \| D81138 \| bis(2,4-di-tert-butylphenyl)phosphate \| 2,4-Bis(1,1-dimethylethyl)phenol phosphate \| Bis(2,4-di-tert-butylphenylphosphate \| SY283473 \| AKOS0
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Aryl phosphates
        Level6 Aryl phosphodiesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Aryl phosphates
Direct Parent	Aryl phosphodiesters
Alternative Parents	Phenylpropanes Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl phosphodiester - Phenylpropane - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
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	bis(2,4-ditert-butylphenyl) hydrogen phosphate
INCHI	InChI=1S/C28H43O4P/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)31-33(29,30)32-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3,(H,29,30)
InChIKey	GUDSEWUOWPVZPC-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C
Molecular Weight	474.61
Reaxy-Rn	30921383
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30921383&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C2531026	Certificate of Analysis	Aug 10, 2023	B589905
H2321667	Certificate of Analysis	Aug 10, 2023	B589905
H2321632	Certificate of Analysis	Aug 10, 2023	B589905
I2406038	Certificate of Analysis	Aug 10, 2023	B589905
H2321614	Certificate of Analysis	Aug 10, 2023	B589905

Chemical and Physical Properties

Molecular Weight	474.600 g/mol
XLogP3	9.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	474.29 Da
Monoisotopic Mass	474.29 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	633.000
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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