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trans-2,4-Difluorocinnamic acid - 98%, high purity , CAS No.94977-52-3

COA

Grade & Purity:

≥98%

Cas Number: 94977-52-3
Molecular Weight: 184.14
Beilstein Registry Number: 9(4)2030
MDL number: MFCD00010317
PubChem CID: 5374945
PubChem SID: 488195507

In stock

Item Number

T120761

Grouped product items
SKU	Size	Availability	Price
T120761-1g	1g	3	$19.90
T120761-5g	5g	3	$74.90
T120761-25g	25g	4	$333.90
T120761-100g	100g	2	$1,200.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	2-Propenoic acid, 3-(2,4-difluorophenyl)-, (2E)- \| STK893728 \| UNII-3Q2JP0VD8J \| 4,4-DIFLUOROHEPTANEDIOICACIDDIETHYLESTER \| trans-2,4-Difluorocinnamic acid, 97% \| BBL021022 \| AMY6605 \| 2,4-Difluorocinnamic acid \| 2,4-difluoro-cinnamic acid \| SCHEMBL716629
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	trans-2,4-Difluorocinnamic acid may be used in chemical synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acids
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids
Alternative Parents	Styrenes Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Styrene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
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	488195507
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195507
IUPAC Name	(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
INCHI	InChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey	PQDXPFJQTKGTFP-DUXPYHPUSA-N
Smiles	C1=CC(=C(C=C1F)F)C=CC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1F)F)/C=C/C(=O)O
WGK Germany	3
PubChem CID	5374945
Molecular Weight	184.14
Beilstein	9(4)2030
Reaxy-Rn	9324441

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

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

Analytical Chart:

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13 results found

Lot Number	Certificate Type	Date	Item
E1619016	Certificate of Analysis	Jan 22, 2024	T120761
L2216516	Certificate of Analysis	Nov 22, 2022	T120761
L2216363	Certificate of Analysis	Nov 22, 2022	T120761
L2216360	Certificate of Analysis	Nov 22, 2022	T120761
L2216362	Certificate of Analysis	Nov 22, 2022	T120761
L2216359	Certificate of Analysis	Nov 22, 2022	T120761
L2216499	Certificate of Analysis	Nov 22, 2022	T120761
L2216522	Certificate of Analysis	Nov 22, 2022	T120761
L2216518	Certificate of Analysis	Nov 22, 2022	T120761
B2225871	Certificate of Analysis	Feb 12, 2022	T120761
B2226181	Certificate of Analysis	Feb 12, 2022	T120761
B2226178	Certificate of Analysis	Feb 12, 2022	T120761
B2225763	Certificate of Analysis	Feb 12, 2022	T120761

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Chemical and Physical Properties

Melt Point(°C)	217°C
Molecular Weight	184.140 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	184.034 Da
Monoisotopic Mass	184.034 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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