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1012-72-2,MFCD00008836
Catalog No.:AA0003UY
1012-72-2 | 1,4-Di-tert-butylbenzene
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1g
95%
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$36.00   $25.00
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5g
95%
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$86.00   $60.00
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25g
95%
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$232.00   $162.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003UY
Chemical Name:
1,4-Di-tert-butylbenzene
CAS Number:
1012-72-2
Molecular Formula:
C14H22
Molecular Weight:
190.3245
MDL Number:
MFCD00008836
IUPAC Name:
1,4-ditert-butylbenzene
InChI:
InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
InChI Key:
OOWNNCMFKFBNOF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(C)(C)C)(C)C
EC Number:
213-790-9
UNII:
55PTX4KH71
NSC Number:
6342
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Synonyms
 
1,4-di-tert-butylbenzene 
para-di-tert-butylbenzene 
NSC 6342 
EINECS 213-790-9 
AI3-11248 
55PTX4KH71 
Benzene, bis(1,1-dimethylethyl)- 
MFCD00008836 
AK111123 
NSC6342 
1,4-di-t-butylbenzene 
ACMC-2097up 
1,4-Di-tert-butylbenzene 
AC1L22PN 
1,4-bis(tert-butyl)benzene 
CHEMBL1795573 
DTXSID4061410 
KS-00000WQP 
OOWNNCMFKFBNOF-UHFFFAOYSA-N 
1,4-Di-tert-butylbenzene, 98% 
ZINC968669 
Benzene, p-di-tert-butyl- (8CI) 
NSC-6342 
1012-72-2 
ANW-14447 
Benzene,4-bis(1,1-dimethylethyl)- 
AKOS004907087 
FCH1115072 
MCULE-6142203619 
1,4-Bis-(1,1-dimethylethyl)-benzene 
AJ-24605 
AN-48315 
CC-03379 
LS-29141 
p-Di-tert-butylbenzene 
P265 
SC-57946 
ZB015561 
AX8054773 
RT-001443 
ST2414843 
D2111 
FT-0606907 
ST50406194 
A800363 
Benzene, p-di-tert-butyl- 
AE-641/00770037 
C-08145 
I01-2988 
J-000353 
InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H 
C14H22 
CID13895 
C14-H22 
1,4-ditert-butylbenzene 
Benzene, 1,4-bis(1,1-dimethylethyl)- 
UNII-55PTX4KH71 
Bis(1,1-dimethylethyl)benzene 
Literature

Title: Perylene bisimide dimer aggregates: fundamental insights into self-assembly by NMR and UV/Vis spectroscopy.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20121022

Title: Bimolecular electron transfers that deviate from the Sandros-Boltzmann dependence on free energy: steric effect.

Journal: The Journal of organic chemistry 20120217

Title: Quantification of hexanal as an index of lipid oxidation in human milk and association with antioxidant components.

Journal: Journal of clinical biochemistry and nutrition 20111101

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

Title: 4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Thermochemistry of ionic liquid-catalyzed reactions. experimental and theoretical study of chemical equilibria of isomerization and transalkylation of tert-butylbenzenes.

Journal: The journal of physical chemistry. A 20081106

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