Home Other Building Blocks 4-Chloro-2-butanone

4-Chloro-2-butanone

CAS No.:
6322-49-2
Catalog Number:
AG003634
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$80
- +
5g
98%(GC)
In Stock USA
United States
$201
- +
25g
98%(GC)
In Stock USA
United States
$747
- +
Product Description
Catalog Number:
AG003634
Chemical Name:
4-Chloro-2-butanone
CAS Number:
6322-49-2
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
MDL Number:
MFCD00037116
IUPAC Name:
4-chlorobutan-2-one
InChI:
InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3
InChI Key:
MAGOYBJJLVSJIC-UHFFFAOYSA-N
SMILES:
CC(=O)CCCl
EC Number:
228-680-6
NSC Number:
32104
Properties
Complexity:
51.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.019g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.549g/mol
Monoisotopic Mass:
106.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Products and mechanism of the reaction of Cl with butanone in N2/O2 diluent at 297-526 K. The journal of physical chemistry. A 20090319
Properties