Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester
Basic information
- CAS
4827-55-8- Standard SMILES
CCCCC(CC)COC(=O)C1C(C(=O)OCC(CC)CCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
ONIHOIFWLALAQH-UHFFFAOYSA-N- Molecular formula
- C25H36Cl6O4
- Average molar mass
- 613.3 g/mol
- Monoisotopic mass
- 610.074476
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester
- IUPAC
- bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
- English name
- Bis(2-ethylhexyl) chlorendate 95
- Molecular formula
- C25H36Cl6O4
- Molecular weight
- 613.27
Names & synonyms
Bis(2-ethylhexyl)chlorendateEINECS 225-405-1NSC 22230DTXSID20863457Bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylateBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) esterBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) esterBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) esterBis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dicarboxylateBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) esterRefChem:568091DTXCID70812076
Show more names
ethylhexyl)esterdi-2-EthylhexylchlorendateBis(2-ethylhexyl) chlorendate 95BIS(2-ETHYLHEXYL) CHLORENDATE 95%Chlorendic acid bis-(2-ethylhexyl)-ester4,5,6,7,7-hexachloro-3-dicarboxylicacibis(2-bicyclo[2.2.1]hept-5-ene-11,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid bis(2-ethylhexyl) ester
225-405-14827-55-8Di-2-ethylhexyl chlorendate5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester2-ethylhexyl 1,4,5,6,7,7-hexachloro-3-[(2-ethylhexyl)oxycarbonyl]bicyclo[2.2.1 ]hept-5-ene-2-carboxylatebis(2-ethylhexyl) chlorendateNSC22230bis(2-ethylhexyl) 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
Database identifiers
- CAS
4827-55-8- PubChem CID
- 95591
- DTXSID
DTXSID20863457- EC Number
- 225-405-1
- Nikkaji
- J262.481H
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 233 °C0.3 · 233 °C0.3 mm Hg(lit.)
- Density
- 1.24 g/mL · 1.24 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5(lit.)
- Flash point
- 230 °F · >230 °F
- Henry's Law Constant
- 6 · 6.0×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester (4827-55-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.6% (1 of 63) of reports.
Warning
H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesEye Irrit. 2 (98.4%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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