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Home Other Building Blocks 1-Bromo-4-tert-butylbenzene

1-Bromo-4-tert-butylbenzene

CAS No.:
3972-65-4
Catalog Number:
AG0032PZ
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0032PZ
Chemical Name:
1-Bromo-4-tert-butylbenzene
CAS Number:
3972-65-4
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD00000108
IUPAC Name:
1-bromo-4-tert-butylbenzene
InChI:
InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI Key:
XHCAGOVGSDHHNP-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)(C)C
EC Number:
223-599-2
NSC Number:
43038
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
A computational study of tert-butylbenzenium ions. The journal of physical chemistry. A 20110414
Covalent bulk functionalization of graphene. Nature chemistry 20110401
Use of tert-butylbenzoylated tartardiamide chiral stationary phase for the enantiomeric resolution of acidic compounds by nano-liquid chromatography. Journal of separation science 20060701
Effect of solvent on the lithium-bromine exchange of aryl bromides: reactions of n-butyllithium and tert-butyllithium with 1-bromo-4-tert-butylbenzene at 0 degrees C. The Journal of organic chemistry 20060331
Large Raman-scattering activities for the low-frequency modes of substituted benzenes: induced polarizability and stereo-specific ring-substituent interactions. The Journal of chemical physics 20060314
Simultaneous freezing of chirality and in-out conformation of a macropentacyclic cryptand by protonation. Journal of the American Chemical Society 20040922
Properties