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p-Xylenolphthalein - 98%, high purity , CAS No.50984-88-8

COA

Grade & Purity:

≥98%

Cas Number: 50984-88-8
Molecular Weight: 374.44
MDL number: MFCD00042785
PubChem CID: 628858
PubChem SID: 488190809

In stock

Item Number

P405136

Grouped product items
SKU	Size	Availability	Price
P405136-1g	1g	3	$9.90
P405136-5g	5g	5	$12.90
P405136-25g	25g	4	$24.90
P405136-100g	100g	2	$80.90
P405136-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$280.90

View related series

Carbonyl compound (2335) phenol (506)

Basic Description

Synonyms	CS-0061170 \| MFCD00042785 \| 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1-one \| Q2598536 \| EINECS 256-893-4 \| p-Xylenolphthalein, for microscopy \| SCHEMBL2833732 \| P-xylenolphthaleine \| SY052184 \| AMY37380 \| FT-0639953 \| DTXSID90198985 \| 1(3H)-Isob
Specifications & Purity	≥98%
Product Description	Application： p-Xylenolphthalein is related to phenolphthalein which is used as a pH change indicator.

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 p-Xylenols p-Xylenes Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids 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 - Xylenol - Isocoumaran - P-xylenol - M-cresol - O-cresol - Xylene - P-xylene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

Names and Identifiers

Pubchem Sid	488190809
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190809
IUPAC Name	3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1-one
INCHI	InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3
InChIKey	PXCIPOXPHMTCIL-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C(=C4)C)O)C
Isomeric SMILES	CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C(=C4)C)O)C
PubChem CID	628858
Molecular Weight	374.44
Reaxy-Rn	346799

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

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Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
F2306142	Certificate of Analysis	Apr 17, 2023	P405136
F2306146	Certificate of Analysis	Apr 17, 2023	P405136
F2306140	Certificate of Analysis	Apr 17, 2023	P405136
F2306141	Certificate of Analysis	Apr 17, 2023	P405136
F2306144	Certificate of Analysis	Apr 17, 2023	P405136
F2306139	Certificate of Analysis	Apr 17, 2023	P405136
F2306137	Certificate of Analysis	Apr 17, 2023	P405136
F2306138	Certificate of Analysis	Apr 17, 2023	P405136
F2306143	Certificate of Analysis	Apr 17, 2023	P405136

Chemical and Physical Properties

Molecular Weight	374.400 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	374.152 Da
Monoisotopic Mass	374.152 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	559.000
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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