1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
Catalog Number
ACM115286-1
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.) |
Density | 0.95 (NTP, 1992) |
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 |
Storage | room temp |
Assay | 99% |
EC Number | 204-078-9 |
Fluorescence | 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+ |
MDL Number | MFCD00167589 |
Packaging | 10 g in glass bottle |
Quality Level | 100 |
Vapor Pressure | 1.4X10-8 mm Hg @ 25 °C /Estimated/ |