Home Halogens 4,5-Dichlorophthalic acid

4,5-Dichlorophthalic acid

CAS No.:
56962-08-4
Catalog Number:
AG0033V5
Molecular Formula:
C8H4Cl2O4
Molecular Weight:
235.0210
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$20
- +
5g
95%
In Stock USA
United States
$50
- +
10g
95%
In Stock USA
United States
$78
- +
25g
95%
In Stock USA
United States
$172
- +
100g
95%
In Stock USA
United States
$507
- +
Product Description
Catalog Number:
AG0033V5
Chemical Name:
4,5-Dichlorophthalic acid
CAS Number:
56962-08-4
Molecular Formula:
C8H4Cl2O4
Molecular Weight:
235.0210
MDL Number:
MFCD00002493
IUPAC Name:
4,5-dichlorophthalic acid
InChI:
InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChI Key:
FDOQKGWUMUEJLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1C(=O)O)Cl
EC Number:
260-478-3
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.949g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.016g/mol
Monoisotopic Mass:
233.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Bis(benzyl-aminium) 4,5-dichloro-benzene-1,2-dicarboxyl-ate monohydrate. Acta crystallographica. Section E, Structure reports online 20120601
4-Chloro-anilinium 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20111201
tert-Butyl-aminium 2-carb-oxy-4,5-dichloro-benzoate. Acta crystallographica. Section E, Structure reports online 20110901
Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid. Acta crystallographica. Section C, Crystal structure communications 20110701
Bis(guanidinium) 4,5-dichloro-phthalate monohydrate. Acta crystallographica. Section E, Structure reports online 20110701
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, n-butylamine and piperidine. Acta crystallographica. Section C, Crystal structure communications 20100701
4-Methyl-pyridinium 2-carb-oxy-4,5-dichloro-benzoate monohydrate. Acta crystallographica. Section E, Structure reports online 20100601
Isopropyl-aminium 2-carb-oxy-4,5-di-chloro-benzoate. Acta crystallographica. Section E, Structure reports online 20100101
Ethane-1,2-diaminium 4,5-dichloro-phthalate. Acta crystallographica. Section E, Structure reports online 20100101
Guanidinium quinoline-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20091201
1,10-Phenanthrolin-1-ium 2-carb-oxy-4,5-dichloro-benzoate. Acta crystallographica. Section E, Structure reports online 20091001
2,4-Diiodo-aniline. Acta crystallographica. Section E, Structure reports online 20090901
4-Chloro-anilinium 2-carb-oxy-4,5-dichloro-benzoate. Acta crystallographica. Section E, Structure reports online 20090901
Unusual hydrate stabilization in the two-dimensional layered structure of quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate, a proton-transfer compound of the drug quinacrine. Acta crystallographica. Section C, Crystal structure communications 20090401
Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide. Acta crystallographica. Section C, Crystal structure communications 20090301
Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids. Acta crystallographica. Section C, Crystal structure communications 20080901
5,6-Dichloro-2-(2-hydroxy-phen-yl)-iso-indoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
5,6-Dichloro-2-(3-methoxy-phen-yl)isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
5,6-Dichloro-2-(2-fluoro-phen-yl)iso-indoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid). Acta crystallographica. Section C, Crystal structure communications 20080301
2-Carboxy-quinolinium-2,4,6-trinitro-benzene-sulfonate-quinolinium-2-carboxyl-ate (1/1/1). Acta crystallographica. Section E, Structure reports online 20080101
From weak interactions to covalent bonds: a continuum in the complexes of 1,8-bis(dimethylamino)naphthalene. Journal of the American Chemical Society 20030409
Properties