56962-08-4 | 4,5-Dichlorophthalic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$25.00	$17.00
10g	98%	in stock	$29.00	$20.00
25g	98%	in stock	$72.00	$50.00
100g	98%	in stock	$286.00	$200.00

Description

• Catalog Number: AB44777
• Chemical Name: 4,5-Dichlorophthalic acid
• CAS Number: 56962-08-4
• Molecular Formula: C8H4Cl2O4
• Molecular Weight: 235.0210
• MDL Number: MFCD00002493
• SMILES: OC(=O)c1cc(Cl)c(cc1C(=O)O)Cl

Computed Properties

• Complexity: 230
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.2

Literature

• 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