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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)-

Benzoic acid, 4-[(chloroacetyl)amino]-

ClCC(=O)Nc1ccc(cc1)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-[(chloroacetyl)amino]-
CAS Number: 4596-39-8
Product Number: AG003JZD(AGN-PC-0JO5HT)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNO3
Molecular Weight: 213.6177

Identification/Properties

Properties
MP:
>257°C (dec.)
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
213.617g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
213.019g/mol
Monoisotopic Mass:
213.019g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(2-Chloroacetamido)benzoic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound plays a crucial role as a building block in the creation of various organic molecules and pharmaceuticals.One of the key applications of 4-(2-Chloroacetamido)benzoic acid is in peptide synthesis. Peptides are essential components in biochemistry and pharmaceutical research, and this compound serves as a key intermediate in the production of peptide-based drugs and biomolecules. By incorporating 4-(2-Chloroacetamido)benzoic acid into peptide sequences, researchers can modulate the properties and functions of the resulting peptides, enabling the development of novel therapeutic agents with enhanced efficacy and specificity.Additionally, 4-(2-Chloroacetamido)benzoic acid is utilized in the synthesis of various heterocyclic compounds. Its unique structure and reactivity make it a valuable precursor for the construction of diverse chemical structures with interesting pharmacological activities. Through strategic manipulation of the functional groups present in 4-(2-Chloroacetamido)benzoic acid, chemists can access a wide range of heterocycles, such as benzimidazoles and quinolines, that exhibit promising biological properties and therapeutic potential.Furthermore, this compound serves as an important starting material for the preparation of dyes, pigments, and other specialty chemicals. Its ability to undergo various chemical transformations, such as amidation, acylation, and cyclization, affords chemists the flexibility to tailor the molecular structure of the final products according to specific requirements and applications. Whether used in the synthesis of pharmaceuticals, agrochemicals, or materials science, 4-(2-Chloroacetamido)benzoic acid represents a valuable building block for advancing chemical innovation and discovery.