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Home Other Building Blocks 4-METHYLDIPHENYLMETHANE

4-METHYLDIPHENYLMETHANE

CAS No.:
620-83-7
Catalog Number:
AG00EBQZ
Molecular Formula:
C14H14
Molecular Weight:
182.2610
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$50
- +
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$380
- +
Product Description
Catalog Number:
AG00EBQZ
Chemical Name:
4-METHYLDIPHENYLMETHANE
CAS Number:
620-83-7
Molecular Formula:
C14H14
Molecular Weight:
182.2610
MDL Number:
MFCD00048102
IUPAC Name:
1-benzyl-4-methylbenzene
InChI:
InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
SIYISNUJKMAQBV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1ccccc1
UNII:
71R0F3960W
NSC Number:
75367
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.266g/mol
Monoisotopic Mass:
182.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states. The journal of physical chemistry. A 20110324
On the curvature in logarithmic plots of rate coefficients for chemical reactions. Chemistry Central journal 20110101
Lone pair-pi and pi-pi interactions play an important role in proton-coupled electron transfer reactions. Journal of the American Chemical Society 20070516
Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms. Journal of the American Chemical Society 20061227
Proton-coupled electron transfer versus hydrogen atom transfer in benzyl/toluene, methoxyl/methanol, and phenoxyl/phenol self-exchange reactions. Journal of the American Chemical Society 20020918
Unexpected selectivities in C-H activations of toluene and p-xylene at cationic platinum(II) diimine complexes. New mechanistic insight into product-determining factors. Journal of the American Chemical Society 20010711
Properties