Record Information
Version1.0
Creation date2010-04-08 22:05:42 UTC
Update date2020-02-24 19:10:42 UTC
Primary IDFDB003234
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEndrin
DescriptionHas been found as a contaminant throughout the environment, including foodstuffs, fish, human milk, etc.
CAS Number72-20-8
Structure
Thumb
Synonyms
SynonymSource
3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaph[2,3-b]oxirene, 9CIdb_source
Aldrinbiospider
Compd. 269biospider
Compound 269biospider
EN 57HMDB
EN 57 (VAN)biospider
Endrexbiospider
Endricolbiospider
Endrinbiospider
Endrin 20 ECbiospider
Endrin and metabolitesbiospider
Endrin isomerbiospider
Endrin mixturebiospider
Endrinebiospider
ENT 17251db_source
Experimental Insecticide 269biospider
Hexachloroepoxyoctahydro-endo, endo-dimethanonaphthalenebiospider
Hexachloroepoxyoctahydro-endo,endo-dimethanonaphthalenebiospider
Hexachloroepoxyoctahydro-endo,endo-dimethanonapthalenebiospider
Hexadrindb_source
Latka 269biospider
Mendrinbiospider
Nendrindb_source
Oktanexbiospider
OMS 197db_source
SD 3419 Illoxolbiospider
Stardrinbiospider
Stardrin 20biospider
Predicted PropertiesNot Available
Chemical FormulaC12H8Cl6O
IUPAC name
InChI IdentifierInChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
InChI KeyDFBKLUNHFCTMDC-UHFFFAOYSA-N
Isomeric SMILESClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl
Average Molecular Weight380.909
Monoisotopic Molecular Weight377.87063112
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Biological location:

Source:

Process

Naturally occurring process:

Role

Environmental role:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 37.84%; H 2.12%; Cl 55.84%; O 4.20%DFC
Melting Point226-230 oC
Boiling PointNot Available
Experimental Water Solubility0.00025 mg/mL at 25 oCBIGGAR,JW & RIGGS,RI (1974)
Experimental logP5.20DEBRUIJN,J ET AL. (1989)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID2940
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID3048
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31211
CRC / DFC (Dictionary of Food Compounds) IDCTT64-J:CTT64-J
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference