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Home Other Building Blocks 1-Chloro-2,2-dimethylpropane

1-Chloro-2,2-dimethylpropane

CAS No.:
753-89-9
Catalog Number:
AG003SYT
Molecular Formula:
C5H11Cl
Molecular Weight:
106.5938
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$96
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5g
1 week
United States
$312
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Product Description
Catalog Number:
AG003SYT
Chemical Name:
1-Chloro-2,2-dimethylpropane
CAS Number:
753-89-9
Molecular Formula:
C5H11Cl
Molecular Weight:
106.5938
MDL Number:
MFCD00000941
IUPAC Name:
1-chloro-2,2-dimethylpropane
InChI:
InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChI Key:
JEKYMVBQWWZVHO-UHFFFAOYSA-N
SMILES:
ClCC(C)(C)C
EC Number:
212-040-8
Properties
Complexity:
33.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.055g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.593g/mol
Monoisotopic Mass:
106.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group. The journal of physical chemistry. A 20100930
Protecting-group-free synthesis of 3-tert-prenylated oxindoles: contiguous all-carbon quaternary centers via tertiary neopentyl substitution. Organic letters 20091015
Selective C-H activation of haloalkanes using a rhodiumtrispyrazolylborate complex. Journal of the American Chemical Society 20090805
Theoretical study of the role of solvent H2O in neopentyl and pinacol rearrangements. Journal of computational chemistry 20070715
Total synthesis of (+/-)-welwitindolinone a isonitrile. Journal of the American Chemical Society 20060208
Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues. Biochemistry 20040203
Properties