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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-Chlorocinnamic Acid

OC(=O)C=Cc1ccccc1Cl Request for Quotation
Chemical Name: 2-Chlorocinnamic Acid
CAS Number: 3752-25-8
Product Number: AG003398(AGN-PC-0WA6II)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO2
Molecular Weight: 182.6037

Identification/Properties

Properties
MP:
208-210 °C(lit.)
BP:
321.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5426 (estimate)
Computed Properties
Molecular Weight:
182.603g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
182.013g/mol
Monoisotopic Mass:
182.013g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
189
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Chlorocinnamic acid, also known as 3-phenyl-2-propenoic acid, is a versatile compound widely utilized in chemical synthesis. Its primary application lies in its role as a key intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. In chemical synthesis, 2-Chlorocinnamic acid serves as a valuable building block in the creation of diverse organic compounds due to its unique properties and reactivity. It can undergo various types of transformations, such as nucleophilic substitution, oxidation, and reduction reactions, to yield a range of different products with distinct chemical functionalities.One of the key applications of 2-Chlorocinnamic acid is in the synthesis of substituted cinnamic acids, which are important in the pharmaceutical industry for their biological activities. By selectively modifying the chlorine atom or the carboxylic acid group of 2-Chlorocinnamic acid, chemists can create analogs and derivatives with enhanced pharmacological properties or improved chemical stability.Furthermore, 2-Chlorocinnamic acid can be used in the preparation of heterocyclic compounds, such as benzofurans and indoles, that have applications in drug discovery and materials science. Its ability to participate in C-C and C-H bond formations makes it a valuable reagent for constructing complex molecular structures efficiently.Overall, 2-Chlorocinnamic acid plays a crucial role in chemical synthesis, offering chemists a versatile and flexible platform for the development of novel compounds with diverse applications across various industries.