Bis(4-chlorophenyl)acetic acid - CAS 83-05-6

Catalog:	BB036960
Product Name:	Bis(4-chlorophenyl)acetic acid
CAS:	83-05-6
Synonyms:	2,2-bis(4-chlorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2,2-bis(4-chlorophenyl)acetic acid
Description:	Bis(4-chlorophenyl)acetic acid (CAS# 83-05-6) is a useful research chemical compound.
Molecular Weight:	281.13
Molecular Formula:	C14H10Cl2O2
Canonical SMILES:	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl
InChI:	InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChI Key:	YIOCIFXUGBYCJR-UHFFFAOYSA-N
Boiling Point:	411.4 °C at 760 mmHg
Density:	1.373 g/cm³
MDL:	MFCD00004248
LogP:	4.20990

Publication Number	Title	Priority Date
CN-111172167-A	Organic chlorine pesticide DDT aptamer and application thereof	20200226
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
US-2019064185-A1	Methods of detecting and treating airway inflammatory diseases	20160226
US-10118900-B2	Benzimidazole derivatives useful as CB-1 inverse agonists	20150825
US-2017057929-A1	Benzimidazole derivatives useful as cb-1 inverse agonists	20150825

PMID	Publication Date	Title	Journal
22683103	20120701	Occurrence of DDA in DDT-contaminated sediments of the Southern California Bight	Marine pollution bulletin
21792584	20120201	Toxicity, dioxin-like activities, and endocrine effects of DDT metabolites--DDA, DDMU, DDMS, and DDCN	Environmental science and pollution research international
21184141	20110901	A novel metabolic pathway for biodegradation of DDT by the white rot fungi, Phlebia lindtneri and Phlebia brevispora	Biodegradation
21254094	20110201	Effects of formoterol on protein metabolism in myotubes during hyperthermia	Muscle & nerve
20370354	20100701	Nitric oxide and downstream second messenger cGMP and cAMP enhance adipogenesis in primary human preadipocytes	Cytotherapy

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.0057849
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	280.0057849
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5