2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene - CAS 72-55-9

Name: 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034651
Product Name:	2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene
CAS:	72-55-9
Synonyms:	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene

Technical Data

IUPAC Name:	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Description:	p,p'-DDE is a metabolite and degradation product of DDT, an organochlorine pesticide. It induces morphological changes and activation of the PKCα-p38-C/EBPβ pathway in human promyelocytic HL-60 cells.
Molecular Weight:	318.03
Molecular Formula:	C14H8Cl4
Canonical SMILES:	C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
InChI:	InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
InChI Key:	UCNVFOCBFJOQAL-UHFFFAOYSA-N
Boiling Point:	601.7 °F at 760 mmHg
Melting Point:	89-90 °C
Purity:	≥ 98 %
Solubility:	less than 0.1 mg/mL at 72 °F
Appearance:	Solid powder
Decomposition:	When heated to decomposition it emits very toxic fumes of /chlorides
LogP:	6.18790
Vapor Pressure:	0.000006 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P332+P313, P361, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112979043-A	Purification and recovery device of synergistic eluent for restoring organochlorine pesticide contaminated soil	20210305
AU-2020103867-A4	A constructed wetland sewage treatment simulation device in circulating inflow mode	20201203
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
CN-111189942-A	Method for determining residue of hexachloro cyclohexane soprocide and dichlorodiphenyl trichloroethane in industrial marihuana leaves	20200210
CN-110161144-A	The detection method of organochlorine class and pyrethroid pesticide remained amount in a kind of food	20190613

PMID	Publication Date	Title	Journal
34000504	20211101	A mixture of 15 phthalates and pesticides below individual chemical no observed adverse effect levels (NOAELs) produces reproductive tract malformations in the male rat	Environment international
34383603	20210801	Multi- and Transgenerational Outcomes of an Exposure to a Mixture of Endocrine-Disrupting Chemicals (EDCs) on Puberty and Maternal Behavior in the Female Rat	Environmental health perspectives
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
33571556	20210330	Mixtures of persistent organic pollutants increase ovarian granulosa tumor cell line migration and spheroid invasion by upregulating MMP2 expression and activity via IGF1R	Toxicology
32721735	20201110	Autophagy-related neurotoxicity is mediated via AHR and CAR in mouse neurons exposed to DDE	The Science of the total environment

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.935061
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.938011
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7