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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, 3,5-bis(1,1-dimethylethyl)-

OC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C Request for Quotation
Chemical Name: Benzoic acid, 3,5-bis(1,1-dimethylethyl)-
CAS Number: 16225-26-6
Product Number: AG001SX7(AGN-PC-0JLVMM)
Synonyms:
MDL No:
Molecular Formula: C15H22O2
Molecular Weight: 234.3340

Identification/Properties

Properties
MP:
173-175 °C
BP:
314.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5283 (estimate)
Computed Properties
Molecular Weight:
234.339g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
234.162g/mol
Monoisotopic Mass:
234.162g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
258
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#:
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


Benzoic acid, 3,5-bis(1,1-dimethylethyl)- is a versatile compound widely used in chemical synthesis. This compound, also known as 3,5-di-tert-butylbenzoic acid, plays a crucial role in various reactions and processes due to its unique chemical properties.In chemical synthesis, Benzoic acid, 3,5-bis(1,1-dimethylethyl)- is commonly employed as a building block in the production of specialty chemicals, pharmaceuticals, and advanced materials. Its bulky tert-butyl groups provide steric hindrance, which can influence the reactivity and selectivity of reactions. This compound is particularly valuable in the synthesis of organic compounds where precise control over the molecular structure is essential.Furthermore, Benzoic acid, 3,5-bis(1,1-dimethylethyl)- can serve as a protecting group in organic synthesis to shield reactive functional groups from undesired reactions. Its presence can facilitate complex multi-step syntheses by enabling the selective manipulation of specific chemical moieties. Additionally, this compound has been utilized in the development of novel catalyst systems and as a key intermediate in the preparation of specialty polymers and materials with tailored properties.Overall, the application of Benzoic acid, 3,5-bis(1,1-dimethylethyl)- in chemical synthesis showcases its significance as a versatile building block that contributes to the advancement of diverse fields within the realm of chemistry and materials science.