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Home Other Building Blocks 3-Chloro-2,4-pentanedione

3-Chloro-2,4-pentanedione

CAS No.:
1694-29-7
Catalog Number:
AG0033NE
Molecular Formula:
C5H7ClO2
Molecular Weight:
134.5609
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>95.0%(GC)
1 week
United States
$98
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Product Description
Catalog Number:
AG0033NE
Chemical Name:
3-Chloro-2,4-pentanedione
CAS Number:
1694-29-7
Molecular Formula:
C5H7ClO2
Molecular Weight:
134.5609
MDL Number:
MFCD00009651
IUPAC Name:
3-chloropentane-2,4-dione
InChI:
InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChI Key:
VLRGXXKFHVJQOL-UHFFFAOYSA-N
SMILES:
ClC(C(=O)C)C(=O)C
EC Number:
216-902-4
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.013g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.559g/mol
Monoisotopic Mass:
134.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
K2CO3-promoted domino reactions: construction of functionalized 2,3-dihydrobenzofurans and clofibrate analogues. The Journal of organic chemistry 20110902
Synthesis of new visnagen and khellin furochromone pyrimidine derivatives and their anti-inflammatory and analgesic activity. Molecules (Basel, Switzerland) 20110225
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Ethyl (Z)-2-chloro-2-(2-phenyl-hydrazin-1-yl-idene)acetate. Acta crystallographica. Section E, Structure reports online 20100901
Ethyl 2-chloro-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene]acetate. Acta crystallographica. Section E, Structure reports online 20100901
Tautomeric properties and gas-phase structure of 3-chloro-2,4-pentanedione. The journal of physical chemistry. A 20080410
Synthesis of 5-(thiazol-5-yl)-4,5-dihydroisoxazoles from 3-chloropentane-2,4-dione. Journal of combinatorial chemistry 20080101
Time dependence in mixture toxicity with soft electrophiles: 1. Combined effects of selected SN2- and SNAr-reactive agents with a nonpolar narcotic. Archives of environmental contamination and toxicology 20070401
Electroactive ligands: the first metal complexes of tetrathiafulvenyl-acetylacetonate. Inorganic chemistry 20051128
Properties