Catalog Number
ACM115286-1
Product Name
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
Category
Self Assembly and Lithography
Synonyms
1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid,Hexachloroendomethylenetetrahydrophthalic acid
Description
Chlorendic acid appears as fine white free-flowing crystals or white powder. Odorless. (NTP, 1992)
IUPAC Name
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Molecular Weight
388.8g/mol
Molecular Formula
C9H4Cl6O4
Canonical SMILES
OC(=O)C1C(C(O)=O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
InChI
1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)/t1?,2?,7-,8+
InChI Key
DJKGDNKYTKCJKD-SBUZQEQSSA-N
Melting Point
239-242 °C (lit.)
Solubility
less than 1 mg/mL at 70° F (NTP, 1992);0.01 M;Slightly soluble in nonpolar organic solvents (e.g., benzene); readily soluble in methanol, ethanol and acetone;In water, 0.35 g/100 g @ 25 °C
Color/Form
Crystalline solid
Covalently-Bonded Unit Count
1
Exact Mass
387.821125g/mol
MeSH Entry Terms
chlorendic acid;chlorendic acid, (endo,endo)-isomer
Monoisotopic Mass
385.824075g/mol
NSC Number
41876;22231;519
Other Experimental
Loses water in a heated open system to give the anhydride; emits chlorine when heated to decomposition.;Melting point: decomposes to the anhydride.;Henry's Law constant=3.0X10-14 atm-cu m/mole @ 25 °C /Estimated/;Hydroxyl radical rate constant=8.2X10-12 cu cm/molecule-sec @ 25 °C /Estimated/
Packaging
10 g in glass bottle
Stability
The acid loses water in a heated open system, tends to discolor and forms the anhydride, which melts at 230-235 °C. ...Chlorendic acid is very resistant to hydrolytic dechlorination... .
Vapor Pressure
1.4X10-8 mm Hg @ 25 °C /Estimated/