632-58-6 | Tetrachlorophthalic acid hemihydrate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
25g	>98.0%(T)	in stock	$21.00	$15.00
500g	>98.0%(T)	in stock	$192.00	$135.00

Description

• Catalog Number: AI54083
• Chemical Name: Tetrachlorophthalic acid hemihydrate
• CAS Number: 632-58-6
• Molecular Formula: C8H2Cl4O4
• Molecular Weight: 303.9111
• MDL Number: MFCD00053309
• SMILES: OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl
• NSC Number: 193510

Computed Properties

• Complexity: 280
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 3.5

Literature

• Heptaaqua-(3,4,5,6-tetra-chloro-phthalato-κO(1))erbium(III) 2-carb-oxy-3,4,5,6-tetra-chloro-benzoate-3,4,5,6-tetra-chloro-phthalic acid-water (1/1/1).

  Acta crystallographica. Section E, Structure reports online 20120501

• Two hydration products of 3,4,5,6-tetrachloro-N-(methyl-2-pyridyl)phthalmic acids.

  Acta crystallographica. Section C, Crystal structure communications 20110701

• Identification of 2-bromo-3,4,5,6-tetrachloroaniline and its quantification in the color additives D&C Red Nos. 27 and 28 (phloxine B) using solid-phase microextraction and gas chromatography-mass spectrometry.

  Journal of chromatography. A 20030711