Chlorendic acid

Description

Chlorendic acid · CAS 115-28-6 · C9H4Cl6O4. UNII IAC1H0N39L. Melting Point: 406 to 410 °F (NTP, 1992); Solubility: In water, 0.35 g/100 g @ 25 °C; Vapor Pressure: 0.00000003 [mmHg].

Identification

CAS Registry Number	115-28-6
PubChem CID	8266
Molecular formula	C9H4Cl6O4
IUPAC name	1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
UNII (FDA)	IAC1H0N39L

Computed Descriptors

Molecular Weight	388.8
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	387.821125
Monoisotopic Mass	385.824075
Topological Polar Surface Area	74.6
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Melting Point	406 to 410 °F (NTP, 1992)
Solubility	In water, 0.35 g/100 g @ 25 °C
Vapor Pressure	0.00000003 [mmHg]
Vapor Pressure	1.4X10-8 mm Hg @ 25 °C /Estimated/
LogP	log Kow= 2.30
Dissociation Constants	pKa=3.1

Physical description & handling notes

• Chlorendic acid appears as fine white free-flowing crystals or white powder. Odorless. (NTP, 1992)
• Liquid
• White odorless solid; [CAMEO]
• Crystalline solid
• 208-210 °C, sealed tube; 230-235 °C, open tube
• Melting point: decomposes to the anhydride.

GHS Hazard Classification

Reported hazard statements	H315 (74.2%), H318 (16.2%), H319 (82.7%), H335 (73.8%), H350 (74.2%), H351 (16.2%), H302, H330

Documented Uses

• Used as a fire-retardant monomer in unsaturated polyester resins, wool fabrics, coatings, epoxy resins, and polyurethane foams; Also used as an extreme pressure lubricant, chemical intermediate, and for special applications in electronic systems, paneling, engineering plastics, paints, and anti-corrosion tanks, pipes, and other equipment; [HSDB]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Plastic Composites Manufacturing [Category: Industry]
• Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
• FIRE-RETARDANT MONOMER IN UNSATURATED POLYESTER RESINS; FIRE RETARDANT MONOMER IN COATINGS, IN EPOXY RESINS, IN POLYURETHANE FOAMS; EXTREME PRESSURE LUBRICANT; CHEM INT FOR DIBUTYL & DIMETHYLCHLORENDATE (PLASTICIZERS)
• In Europe, 80% of the chlorendic acid produced is used in composites for flame retardant building and transport materials. The remainder issued in composites for the manufacture of anti-corrosion equipment, such as tanks, piping and scrubbers. In the USA, Latin American and Far East, the usage pattern is reversed; 70-80% is used for anti-corrosion equipment and 20-30% for flame retardant applications.

Synonyms

CHLORENDIC ACID; 115-28-6; 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid; HET acid; Kyselina het; Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-; NCI-C55072; Hexachloroendomethylenetetrahydrophthalic acid; DTXSID2020268; 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid; Hexachloro-endo-methylenetetrahydrophthalic acid; 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-; 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid; 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid; DTXCID80268; CHEBI:76603

Frequently Asked Questions

What are the CAS number and molecular formula of Chlorendic acid?

CAS 115-28-6; molecular formula C9H4Cl6O4; molecular weight — g/mol.

What other names is Chlorendic acid known by?

CHLORENDIC ACID, 115-28-6, 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, HET acid, Kyselina het, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-.

Is Chlorendic acid classified as hazardous?

Hazard statements reported: H315, H318, H319, H335, H350.

What are the key physical properties of Chlorendic acid?

Melting Point: 406 to 410 °F (NTP, 1992); Solubility: In water, 0.35 g/100 g @ 25 °C; Vapor Pressure: 0.00000003 [mmHg]; Vapor Pressure: 1.4X10-8 mm Hg @ 25 °C /Estimated/.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.