JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
3-Phenylphthalide - 98%, high purity , CAS No.5398-11-8

Skip to the end of the images gallery

Skip to the beginning of the images gallery

3-Phenylphthalide - 98%, high purity , CAS No.5398-11-8

COA

Grade & Purity:

≥98%

Cas Number: 5398-11-8
Molecular Weight: 210.23
Beilstein Registry Number: 17(5)10,452
MDL number: MFCD00023099
PubChem CID: 95365
PubChem SID: 488186903

In stock

Item Number

P160558

Grouped product items
SKU	Size	Availability	Price
P160558-1g	1g	6	$9.90
P160558-5g	5g	5	$32.90
P160558-25g	25g	5	$95.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 226-426-9 \| MFCD00023099 \| NSC 4572 \| 2-Propanol, 1-amino-, (2S)- \| 1(3H)-Isobenzofuranone, 3-phenyl- \| FT-0616343 \| Ethanone, 1-(4-(3-chloropropoxy)-3-methoxyphenyl)- \| FT-0616344 \| 3-Phenylisobenzofuran-1(3H)-one \| ?3-PHENYLPHTHALIDE \| WLN: T56 B
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

pvdQ PvdQ (215 Activities)

Discover Target: pvdQ

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	488186903
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186903
IUPAC Name	3-phenyl-3H-2-benzofuran-1-one
INCHI	InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H
InChIKey	SQFMIHCARVMICF-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2
Isomeric SMILES	C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2
RTECS	TI3800000
PubChem CID	95365
Molecular Weight	210.23
Beilstein	17(5)10,452
Reaxy-Rn	159678

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.

6 results found

Lot Number	Certificate Type	Date	Item
D2324811	Certificate of Analysis	Mar 23, 2023	P160558
D2324816	Certificate of Analysis	Mar 23, 2023	P160558
D2324808	Certificate of Analysis	Mar 23, 2023	P160558
D2324832	Certificate of Analysis	Mar 23, 2023	P160558
D2324817	Certificate of Analysis	Mar 23, 2023	P160558
D2324814	Certificate of Analysis	Mar 23, 2023	P160558

Chemical and Physical Properties

Melt Point(°C)	118 °C
Molecular Weight	210.230 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	210.068 Da
Monoisotopic Mass	210.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	268.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.