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Tris(p-tert-butylphenyl) Phosphate , CAS No.78-33-1

COA

Cas Number: 78-33-1
Molecular Weight: 494.617
MDL number: MFCD00026302
PubChem CID: 6530

In stock

Item Number

T134439

Grouped product items
SKU	Size	Availability	Price
T134439-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
T134439-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
T134439-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$284.90

Basic Description

Synonyms	NSC 2884 \| NSC2884 \| NSC-2884 \| Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1) \| Tris(p-tert-butylphenyl) phosphate \| Phenol,1-dimethylethyl)-, phosphate (3:1) \| Tri-(p-tert.-butylphenyl)-phosphat \| Q27293629 \| SCHEMBL190945 \| EINECS 201-106-1 \| tri-(p-t
Shipped In	Normal

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 phosphotriesters

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 phosphotriesters
Alternative Parents	Phenylpropanes Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl phosphotriester - 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 phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three 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	tris(4-tert-butylphenyl) phosphate
INCHI	InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChIKey	LORSVOJSXMHDHF-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
PubChem CID	6530
Molecular Weight	494.617

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	494.600 g/mol
XLogP3	9.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	494.259 Da
Monoisotopic Mass	494.259 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	594.000
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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