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Tert-Butyl Peroxybenzoate

CAS No.:
614-45-9
Catalog Number:
AG0035NF
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG0035NF
Chemical Name:
Tert-Butyl Peroxybenzoate
CAS Number:
614-45-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00008802
IUPAC Name:
tert-butyl benzenecarboperoxoate
InChI:
InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
GJBRNHKUVLOCEB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OOC(C)(C)C
EC Number:
210-382-2
UNII:
54E39145KT
NSC Number:
674
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Multiphase enantioselective Kharasch-Sosnovsky allylic oxidation based on neoteric solvents and copper complexes of ditopic ligands. Dalton transactions (Cambridge, England : 2003) 20120721
Empty-level structure and reactive species produced by dissociative electron attachment to tert-butyl peroxybenzoate. The journal of physical chemistry. A 20120412
Oxidative cyclization of 2-arylphenols to dibenzofurans under Pd(II)/peroxybenzoate catalysis. Organic letters 20111021
Direct amidation of azoles with formamides via metal-free C-H activation in the presence of tert-butyl perbenzoate. Chemical communications (Cambridge, England) 20110821
Conformal polymeric thin films by low-temperature rapid initiated chemical vapor deposition (iCVD) using tert-butyl peroxybenzoate as an initiator. ACS applied materials & interfaces 20110701
Synthesis and properties of a highly soluble dihydoxo(tetra-tert-butylphthalocyaninato)antimony(V) complex as a precursor toward water-soluble phthalocyanines. Journal of inorganic biochemistry 20080301
Chiral boron-bridged bisoxazoline (borabox) ligands: structures and reactivities of Pd and Cu complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Theoretical insights into enantioselective catalysis: the mechanism of the Kharasch-Sosnovsky reaction. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Asymmetric allylic oxidation reactions catalyzed by a chiral nonracemic and C2-symmetric 2,2'-bipyridyl copper(I) complex. Organic & biomolecular chemistry 20060107
Exposure of mouse skin to organic peroxides: subchronic effects related to carcinogenic potential. Carcinogenesis 20040301
Isolation and magnetic properties of heterocycle-carrying N-alkoxyarylaminyl radicals. The Journal of organic chemistry 20031226
Unusual atmospheric pressure chemical ionization conditions for detection of organic peroxides. Journal of mass spectrometry : JMS 20030901
Determination of organic peroxides by liquid chromatography with on-line post-column ultraviolet irradiation and peroxyoxalate chemiluminescence detection. Journal of chromatography. A 20030214
N-tert-Butoxy-1-aminopyrenyl Radicals. Isolation, Electronic Structure, and Magnetic Characterization. The Journal of organic chemistry 20021213
Detection of volatile organic peroxides in indoor air. Fresenius' journal of analytical chemistry 20011201
First isolation of monomeric N-alkoxyarylaminyl radicals and their chemical and magnetic properties. The Journal of organic chemistry 20011102
Properties