Benzoyl chloride, 4-butyl-


Chemical Name: Benzoyl chloride, 4-butyl-
CAS Number: 28788-62-7
Product Number: AG002WGE(AGN-PC-0JLMO9)
Synonyms:
MDL No:
Molecular Formula: C11H13ClO
Molecular Weight: 196.6733

Identification/Properties


Properties
BP:
155-156 °C22 mm Hg(lit.)
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.5351(lit.)
Computed Properties
Molecular Weight:
196.674g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
196.065g/mol
Monoisotopic Mass:
196.065g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
160
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#:
3265
Hazard Statements:
H314-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Butylbenzoyl chloride is a versatile chemical reagent commonly employed in chemical synthesis for various applications. This compound serves as an acylating agent in organic reactions, where it is used to introduce the butylbenzoyl group into target molecules. By selectively reacting with nucleophilic functional groups such as amines, alcohols, or thiols, 4-Butylbenzoyl chloride facilitates the formation of new carbon-carbon or carbon-heteroatom bonds. This enables the creation of complex organic compounds with tailored properties and structures. Additionally, 4-Butylbenzoyl chloride can be utilized in the preparation of pharmaceuticals, agrochemicals, and advanced materials, highlighting its significance in the field of chemical synthesis.