Home Other Building Blocks 1-Chloro-2-methylpropane

1-Chloro-2-methylpropane

CAS No.:
513-36-0
Catalog Number:
AG0035TH
Molecular Formula:
C4H9Cl
Molecular Weight:
92.5673
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$54
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0035TH
Chemical Name:
1-Chloro-2-methylpropane
CAS Number:
513-36-0
Molecular Formula:
C4H9Cl
Molecular Weight:
92.5673
MDL Number:
MFCD00000954
IUPAC Name:
1-chloro-2-methylpropane
InChI:
InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChI Key:
QTBFPMKWQKYFLR-UHFFFAOYSA-N
SMILES:
ClCC(C)C
EC Number:
208-157-9
UNII:
95E08D17M7
UN Number:
1127
Properties
Complexity:
17.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
92.039g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
92.566g/mol
Monoisotopic Mass:
92.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester. International journal of molecular sciences 20120101
Kinetic evaluation of the solvolysis of isobutyl chloro- and chlorothioformate esters. Beilstein journal of organic chemistry 20110101
Correlation of the rates of solvolysis of i-butyl fluoroformate and a consideration of leaving-group effects. International journal of molecular sciences 20110101
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature chemical biology 20091001
Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling. The journal of physical chemistry. B 20070816
Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster. Chemosphere 20070201
Synthesis, in vitro metabolic studies, and antitumour activity of methyl analogues of ifosfamide. Archiv der Pharmazie 20010901
Properties