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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)-

Benzenepropanoic acid, 3,5-dichloro-

OC(=O)CCc1cc(Cl)cc(c1)Cl Request for Quotation
Chemical Name: Benzenepropanoic acid, 3,5-dichloro-
CAS Number: 95333-95-2
Product Number: AG003I1W(AGN-PC-0JWJ3G)
Synonyms:
MDL No:
Molecular Formula: C9H8Cl2O2
Molecular Weight: 219.0646

Identification/Properties

Properties
MP:
56-60°C
BP:
336.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.061g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
217.99g/mol
Monoisotopic Mass:
217.99g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
175
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:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzenepropanoic acid, 3,5-dichloro-, is a valuable compound widely utilized in chemical synthesis. This compound serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique chemical structure, featuring two chlorine substituents on the benzene ring, imparts specific functional properties that make it an essential building block in organic synthesis. In pharmaceutical applications, Benzenepropanoic acid, 3,5-dichloro-, is utilized in the synthesis of medications targeting specific biological pathways or receptors. The presence of the dichloro substituents can enhance the potency and specificity of the resulting drugs, making them effective therapeutic agents for a range of medical conditions.Furthermore, in agrochemical synthesis, this compound plays a crucial role in the development of pesticides and herbicides with selective activity against certain pests or weeds. The 3,5-dichloro substitution pattern confers the desired properties for effective pest control while minimizing non-target environmental impact.Overall, Benzenepropanoic acid, 3,5-dichloro-, is a versatile and indispensable compound in chemical synthesis, enabling the creation of a diverse array of valuable products across various industries.