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2,5-Dimethyl-3-furancarboxylic Acid - >98.0%(GC), high purity , CAS No.636-44-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 636-44-2
Molecular Weight: 140.14
Beilstein Registry Number: 18(5)6,233
MDL number: MFCD00082181
PubChem CID: 69465
PubChem SID: 488184329

In stock

Item Number

D154957

Grouped product items
SKU	Size	Availability	Price
D154957-1g	1g	6	$22.90
D154957-5g	5g	5	$85.90
D154957-25g	25g	2	$220.90

View related series

Five-Membered Heterocyclic Compounds (2064) furan (202)

Basic Description

Synonyms	NSC 170612 \| D3863 \| HMS1406B18 \| DIETHYLFURFURYLIDENEMALONATE \| F2158-0087 \| FT-0610438 \| AB03078 \| BBL014473 \| Pyrotritaric acid \| Z56867309 \| BB 0255031 \| 2,5-Dimethyl-3-furancarboxylic acid \| EINECS 211-257-5 \| MLS004257381 \| CNTHHNPBADVTRY-UHFFFAOYSA
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	2,5-Dimethyl-3-furoic acid may be used as carboxylato ligand in the preparation of the following titanocene complexes: [Ti(η5-C5H5)2(OOC-dmf)2],[Ti(η5-C5H4Me)2(OOC-dmf)2].

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Furans
    - Subclass Furoic acid and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Furoic acid and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Furoic acids
Alternative Parents	Furan-3-carboxylic acids Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Furoic acid - Heteroaromatic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
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	488184329
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184329
IUPAC Name	2,5-dimethylfuran-3-carboxylic acid
INCHI	InChI=1S/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)
InChIKey	CNTHHNPBADVTRY-UHFFFAOYSA-N
Smiles	CC1=CC(=C(O1)C)C(=O)O
Isomeric SMILES	CC1=CC(=C(O1)C)C(=O)O
WGK Germany	3
Molecular Weight	140.14
Beilstein	18(5)6,233
Reaxy-Rn	116201
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116201&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
F1927093	Certificate of Analysis	Apr 13, 2023	D154957
D23141493	Certificate of Analysis	Jan 13, 2023	D154957
D23141515	Certificate of Analysis	Jan 13, 2023	D154957
D23141516	Certificate of Analysis	Jan 13, 2023	D154957
D23141511	Certificate of Analysis	Jan 13, 2023	D154957
D23141517	Certificate of Analysis	Jan 13, 2023	D154957
D23141519	Certificate of Analysis	Jan 13, 2023	D154957

Chemical and Physical Properties

Melt Point(°C)	137 °C
Molecular Weight	140.140 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.047 Da
Monoisotopic Mass	140.047 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	144.000
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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