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5-ethynyl isophthalic acid - 97%, high purity , CAS No.432025-97-3

COA

Grade & Purity:

≥97%

Cas Number: 432025-97-3
Poids moléculaire: 190.15
PubChem CID: 12080905
PubChem SID: 488197876

En stock

Item Number

B300243

Articles du produit groupé
SKU	Taille	Disponibilité	Prix
B300243-50mg	50mg	3	24,90$US
B300243-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	40,90$US
B300243-250mg	250mg	4	84,90$US
B300243-1g	1g	3	240,90$US
B300243-5g	5g	1	1 027,90$US

Discover 5-ethynyl isophthalic acid by Aladdin Scientific in 97% for only $24.90. Available - in Ligands at Aladdin Scientific. Tags: .

Description générale

Synonymes	5-ethynylisophthalic acid \| 432025-97-3 \| 5-Ethynylbenzene-1,3-dioic acid \| 5-Ethynyl-1,3-benzenedicarboxylic acid \| 5-ETHYNYLBENZENE-1,3-DICARBOXYLIC ACID \| 5-ethynylisophthalicacid \| YSZC027 \| SCHEMBL2709094 \| XKEUZQRIANAGPB-UHFFFAOYSA-N \| AB9325 \| MFCD14635840 \| AKOS0272545
Spécifications et pureté	≥97%
Expédié en	Normal
Product Description	Application： MOF linker used for the synthesis of MOFs with pores which can be further functionalized by click chemistry

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 M-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	M-phthalic acid and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Acetylides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Acetylide - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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

Noms et identifiants

Pubchem Sid	488197876
IUPAC Name	5-ethynylbenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C10H6O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)
InChIKey	XKEUZQRIANAGPB-UHFFFAOYSA-N
Smiles	C#CC1=CC(=CC(=C1)C(=O)O)C(=O)O
Isomères SMILES	C#CC1=CC(=CC(=C1)C(=O)O)C(=O)O
Poids moléculaire	190.15
Reaxy-Rn	14193826
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14193826&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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7 results found

Lot Number	Certificate Type	Date	Article
K2202022	Certificate of Analysis	Sep 13, 2022	B300243
C2317815	Certificate of Analysis	Sep 13, 2022	B300243
K2202020	Certificate of Analysis	Sep 13, 2022	B300243
K2202021	Certificate of Analysis	Sep 13, 2022	B300243
K2202078	Certificate of Analysis	Sep 13, 2022	B300243
D2510048	Certificate of Analysis	Sep 13, 2022	B300243
F2520101	Certificate of Analysis	Sep 13, 2022	B300243

Propriétés chimiques et physiques

Point de fusion (°C)	245-255 °C
Poids moléculaire	190.150 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	190.027 Da
Monoisotopic Mass	190.027 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	276.000
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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