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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-Propenoic acid, 3-(5-nitro-2-thienyl)-, (E)-

OC(=O)/C=C/c1ccc(s1)[N+](=O)[O-] Request for Quotation
Chemical Name: 2-Propenoic acid, 3-(5-nitro-2-thienyl)-, (E)-
CAS Number: 50868-70-7
Product Number: AG00DJUU(AGN-PC-0OBF1N)
Synonyms:
MDL No:
Molecular Formula: C7H5NO4S
Molecular Weight: 199.1839

Identification/Properties

Properties
MP:
253℃
Storage:
2-8℃;Light sensitive;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
199.18g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
198.994g/mol
Monoisotopic Mass:
198.994g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (E)-3-(5-Nitrothiophen-2-yl)acrylic acid is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the creation of various organic molecules and materials due to its conjugated system and functional group versatility.One of the primary applications of (E)-3-(5-Nitrothiophen-2-yl)acrylic acid in chemical synthesis is its use as a precursor in the synthesis of heterocyclic compounds. By utilizing this compound as a starting material, chemists can access a wide range of heterocycles with diverse structures and properties. The nitro group on the thiophene ring, along with the conjugated double bonds, enables various synthetic transformations, allowing for the efficient construction of complex molecular frameworks.Additionally, (E)-3-(5-Nitrothiophen-2-yl)acrylic acid plays a crucial role in the development of novel pharmaceuticals and agrochemicals. Its ability to undergo diverse chemical reactions under mild conditions makes it an attractive candidate for the synthesis of bioactive molecules. By incorporating this compound into drug discovery and development processes, researchers can access new candidates with enhanced biological activities and improved pharmacokinetic profiles.Moreover, the presence of the nitro group in (E)-3-(5-Nitrothiophen-2-yl)acrylic acid allows for the synthesis of various functionalized compounds with applications in materials science. By exploiting the reactivity of the nitro group, chemists can introduce additional functionalities and tailor the properties of the resulting materials for specific applications. This versatility makes (E)-3-(5-Nitrothiophen-2-yl)acrylic acid a valuable tool in the design and synthesis of advanced materials with tailored properties.Overall, (E)-3-(5-Nitrothiophen-2-yl)acrylic acid serves as a valuable building block in chemical synthesis, enabling the efficient construction of diverse organic molecules, pharmaceuticals, agrochemicals, and materials with tailored properties and enhanced functionalities. Its versatility and reactivity make it a valuable asset in the toolbox of synthetic chemists seeking to develop novel compounds for various applications.