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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-[(chlorocarbonyl)oxy]-, methyl ester

COC(=O)c1ccc(cc1)OC(=O)Cl Request for Quotation
Chemical Name: Benzoic acid, 4-[(chlorocarbonyl)oxy]-, methyl ester
CAS Number: 31140-40-6
Product Number: AG00C21G(AGN-PC-0JX2BG)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO4
Molecular Weight: 214.6025

Identification/Properties

Properties
MP:
51-54 °C
BP:
283.3±23.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.601g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
214.003g/mol
Monoisotopic Mass:
214.003g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
221
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzoic acid, 4-[(chlorocarbonyl)oxy]-, methyl ester is a versatile compound widely utilized in chemical synthesis as an acylating agent. Its ability to undergo acylation reactions makes it an essential tool in the preparation of various organic compounds. This compound is commonly employed in the formation of esters, amides, and other functionalized derivatives, serving as a key building block in the creation of complex molecules. Its reactivity and selectivity in acylation reactions make it a valuable reagent in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, its compatibility with a wide range of substrates and functional groups further enhances its utility in organic synthesis.