Record Information
Version1.0
Creation date2010-04-08 22:08:17 UTC
Update date2020-02-24 19:10:57 UTC
Primary IDFDB008850
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameClofenotane
DescriptionInsecticide. Major component of commercial DDT (other names *Gespan*, *Gesarol*, *Geverol*, *Chlorophenotane*). Use banned or discouraged in many countries
CAS Number50-29-3
Structure
Thumb
Synonyms
SynonymSource
1-Chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzenebiospider
1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethanebiospider
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanebiospider
1,1-bis(p-Chlorophenyl)-2,2,2-trichIoroethanebiospider
1,1,1-trichloro-2-2-bis(4-chlorophenyl)ethanebiospider
1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethanebiospider
1,1,1-Trichloro-2,2-bis(4-chlorophenyl)-ethaneHMDB
1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethaneChEBI
1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethanebiospider
1,1,1-Trichloro-2,2-bis(P-chlorophenyl)-ethaneHMDB
1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethanebiospider
1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethanebiospider
1,1,1-Trichlorobis(chlorophenyl)ethanebiospider
1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-chlorobenzene)biospider
1,1'-(2,2,2-Trichloroethylidene)bis(4-chloro)-benzeneHMDB
1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene), 9CIdb_source
1,1'-(2,2,2-Trichloroethylidene)bis[4-chlorobenzene]ChEBI
2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethanebiospider
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanebiospider
2,2,2-Trichloro-1,1-bis(P-chlorophenyl)-ethaneHMDB
2,2,2-trichlorobis(4-chlorophenyl)ethanebiospider
4,4'-DDTChEBI
a,a-Bis(P-chlorophenyl)-b,b,b-trichlorethaneGenerator
alpha,alpha-Bis(P-chlorophenyl)-beta,beta,beta-trichlorethaneChEBI
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-chloro)-biospider
Bis(p-chlorophenyl)-2,2,2-trichloroethanebiospider
Chlofenotanbiospider
Chlorophenothanedb_source
Chlorphenotanebiospider
DDTbiospider
DichlorodiphenyltrichloroethaneChEBI
Dicophane, BANdb_source
Diphenyltrichloroethanebiospider
Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)-biospider
Ethane, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)-biospider
Ethane, 2,2,2-trichloro-1,1-bis(p-chlorophenyl)-biospider
P,P'-ddtChEBI
p,p'-DDT, BSIdb_source
P,P'-dichlorodiphenyltrichloroethaneChEBI
Zeidanedb_source
Zerdanebiospider
Zithiolbiospider
α,α-bis(P-chlorophenyl)-β,β,β-trichlorethaneGenerator
Predicted PropertiesNot Available
Chemical FormulaC14H9Cl5
IUPAC name
InChI IdentifierInChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChI KeyYVGGHNCTFXOJCH-UHFFFAOYSA-N
Isomeric SMILESClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl
Average Molecular Weight354.486
Monoisotopic Molecular Weight351.914688823
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Biological location:

Source:

Role

Indirect biological role:

Environmental role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 47.44%; H 2.56%; Cl 50.01%DFC
Melting PointMp 108.5-109°DFC
Boiling PointNot Available
Experimental Water Solubility5.5e-06 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP6.91HANSCH,C ET AL. (1995)
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 ID2928
ChEMBL IDCHEMBL416898
KEGG Compound IDC04623
Pubchem Compound ID3036
Pubchem Substance IDNot Available
ChEBI ID16130
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB32127
CRC / DFC (Dictionary of Food Compounds) IDDZH25-R:DZH25-R
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