CAS 115-28-6 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid

NAVIGATION

1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid

PRICE INQUIRY

Catalog Number

ACM115286-3

CAS Number

115-28-6

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.)

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

Application

The purpose of 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid is primarily to serve as a flame retardant. This colorless crystalline compound, produced through a Diels-Alder reaction followed by hydrolysis, is utilized as a chemical intermediate in the manufacture of fire-retardant polyester resins and plasticizers. While it plays a crucial role in enhancing the safety of various materials by reducing their flammability, it is also recognized as an environmental toxin and is listed on the US EPA Toxic Release Inventory, highlighting the need for careful handling and management.

Storage

room temp

Assay

99%

Color/Form

Crystalline solid

Complexity

487

Covalently-Bonded Unit Count

EC Number

204-078-9

Exact Mass

387.821125g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow= 2.30

MDL Number

MFCD00167589

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

Rotatable Bond Count

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/

XLogP3

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