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Phenyl benzoate - 99%, high purity , CAS No.93-99-2

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Phenyl benzoate - 99%, high purity , CAS No.93-99-2

COA

Grade & Purity:

≥99%

Cas Number: 93-99-2
Molecular Weight: 198.22
Beilstein Registry Number: 1566346
EC Number: 202-293-2
MDL number: MFCD00003072
PubChem CID: 7169
PubChem SID: 488180321

In stock

Item Number

P107013

Grouped product items
SKU	Size	Availability	Price
P107013-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
P107013-25g	25g	8	$19.90
P107013-100g	100g	9	$52.90
P107013-500g	500g	2	$235.90

View related series

Carboxylate (915) Chloride Channel (32) Ion channel (2197) Membrane Transporter/Ion Channel (1822) Non heterocyclic block (8163)

Basic Description

Synonyms	Benzoic acid, phenyl ester \| NCGC00260426-01 \| Phenyl benzoate, 99% \| AKOS001445255 \| SY012912 \| FT-0658394 \| CHEBI:86919 \| DTXSID0048210 \| PHENYL BENZOATE \| SMR001526772 \| DPCate \| MLS002608016 \| DTXCID8028185 \| Phenol, benzoate \| Q27159286 \| EN300-82943
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	Phenyl benzoate is a phenyl ester of benzoic acid. Crystal structure of phenyl benzoate has been determined from 844 microdensitometer-measured intensities. All bond lengths and angles were reported to be normal. Phenyl benzoate undergoes Fries rearrangement catalyzed by heteropoly acids to yield the acylated phenols and esters.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Depsides and depsidones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Depsides and depsidones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Depsides and depsidones
Alternative Parents	Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors	benzoate ester
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

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180321
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180321
IUPAC Name	phenyl benzoate
INCHI	InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChIKey	FCJSHPDYVMKCHI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
WGK Germany	3
RTECS	DH6299500
Molecular Weight	198.22
Beilstein	1566346
Reaxy-Rn	1566346
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1566346&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.

9 results found

Lot Number	Certificate Type	Date	Item
K2323062	Certificate of Analysis	Aug 22, 2022	P107013
E2513072	Certificate of Analysis	Aug 22, 2022	P107013
D2324723	Certificate of Analysis	Aug 22, 2022	P107013
J2218148	Certificate of Analysis	Aug 22, 2022	P107013
J2218146	Certificate of Analysis	Aug 22, 2022	P107013
H2427059	Certificate of Analysis	Aug 22, 2022	P107013
D2324721	Certificate of Analysis	Aug 22, 2022	P107013
H2427060	Certificate of Analysis	Aug 22, 2022	P107013
J2218069	Certificate of Analysis	Aug 22, 2022	P107013

Chemical and Physical Properties

Solubility	Soluble in ethanol, ethyl ether and chloroform. Insoluble in water.
Boil Point(°C)	298-299°C
Melt Point(°C)	68-70°C
Molecular Weight	198.220 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	198.068 Da
Monoisotopic Mass	198.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	201.000
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

Documents & Articles

Fries rearrangement

Categories: Technical articles

Tags:

Fries rearrangement lewis acid Brønsted acids

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