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Home Halogens Tetrachlorophthalic acid hemihydrate

Tetrachlorophthalic acid hemihydrate

CAS No.:
632-58-6
Catalog Number:
AG00IB63
Molecular Formula:
C8H2Cl4O4
Molecular Weight:
303.9111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$45
- +
100g
95%
In Stock USA
United States
$110
- +
500g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00IB63
Chemical Name:
Tetrachlorophthalic acid hemihydrate
CAS Number:
632-58-6
Molecular Formula:
C8H2Cl4O4
Molecular Weight:
303.9111
MDL Number:
MFCD00053309
IUPAC Name:
3,4,5,6-tetrachlorophthalic acid
InChI:
InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChI Key:
WZHHYIOUKQNLQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl
EC Number:
211-181-2
UNII:
W0ENH3M7X7
NSC Number:
193510
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.868g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.9g/mol
Monoisotopic Mass:
301.871g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
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
Properties