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2,2-Diphenylpropionic Acid - 96%, high purity , CAS No.5558-66-7

COA

Grade & Purity:

≥96%

Cas Number: 5558-66-7
Molecular Weight: 226.28
Beilstein Registry Number: 9(2)474
MDL number: MFCD00004189
PubChem CID: 79676
PubChem SID: 504755400

In stock

Item Number

D155026

Grouped product items
SKU	Size	Availability	Price
D155026-1g	1g	3	$12.90
D155026-5g	5g	3	$49.90
D155026-25g	25g	2	$140.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	n6-acetyllysine \| 2,2-Diphenylpropanoic acid # \| D1778 \| Z1124125495 \| EINECS 226-924-6 \| GG6PED9U1M \| A830712 \| HMS1539J09 \| MFCD00004189 \| 2.2-Diphenyl propionic acid \| InChI=1/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,1
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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	504755400
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755400
IUPAC Name	2,2-diphenylpropanoic acid
INCHI	InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey	ODELFXJUOVNEFZ-UHFFFAOYSA-N
Smiles	CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
Isomeric SMILES	CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
WGK Germany	3
Molecular Weight	226.28
Beilstein	9(2)474
Reaxy-Rn	2051420
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051420&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2330540	Certificate of Analysis	Jun 05, 2023	D155026
F2330545	Certificate of Analysis	Jun 05, 2023	D155026
F2330543	Certificate of Analysis	Jun 05, 2023	D155026
F2330521	Certificate of Analysis	Jun 05, 2023	D155026
F2330534	Certificate of Analysis	Jun 05, 2023	D155026
F2330530	Certificate of Analysis	Jun 05, 2023	D155026

Chemical and Physical Properties

Melt Point(°C)	175 °C
Molecular Weight	226.270 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	226.099 Da
Monoisotopic Mass	226.099 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	242.000
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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