2,2,2-Trichloroethanol - CAS 115-20-8

Name: 2,2,2-Trichloroethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003508
Product Name:	2,2,2-Trichloroethanol
CAS:	115-20-8
Synonyms:	Trichloroethyl alcohol; 2,2,2-Trichloro-1-ethanol; (Hydroxymethyl)trichloromethane; 2,2,2-Trichloroethan-1-ol

Technical Data

IUPAC Name:	2,2,2-trichloroethanol
Description:	2,2,2-Trichloroethanol is a hydrophobic quencher of protein fluorescence and it is an agonist for the nonclassical K2P channels TREK-1 (KCNK2) and TRAAK (KCNK4).
Molecular Weight:	149.40
Molecular Formula:	C2H3Cl3O
Canonical SMILES:	C(C(Cl)(Cl)Cl)O
InChI:	InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChI Key:	KPWDGTGXUYRARH-UHFFFAOYSA-N
Boiling Point:	151 °C
Melting Point:	19 °C
Purity:	98 %
Density:	1.557 g/cm³
Solubility:	83.3 mg/mL at 25 °C
Appearance:	Clear colourless to light yellow liquid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00004677
LogP:	1.34890
Vapor Pressure:	1.08 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2015050468-A1	2,3'-Anhydro-2'-deoxy-5-fluorouridine derivatives with cytotoxic activity, a manufacturing process and application	20140724
US-2015376997-A1	Use of long chain alcohols, ketones and organic acids as tracers	20140627
US-2015377010-A1	Use of long chain amines and difunctional compounds as tracers	20140627
US-2015377022-A1	Use of long chain alcohols, ketones and organic acids as tracers	20140627
WO-2015196250-A1	Lipid comprising docosapentaenoic acid	20140627

PMID	Publication Date	Title	Journal
31150805	20190701	Effect of trichloroacetaldehyde on the activation of CD4+T cells in occupational medicamentosa-like dermatitis: An in vivo and in vitro study	Toxicology
26136231	20151001	The Contribution of Peroxisome Proliferator-Activated Receptor Alpha to the Relationship Between Toxicokinetics and Toxicodynamics of Trichloroethylene	Toxicological sciences : an official journal of the Society of Toxicology
24923549	20140902	Trichloroethylene and trichloroethanol-induced formic aciduria and renal injury in male F-344 rats following 12 weeks exposure	Toxicology
23211455	20130208	Trichloroethylene-induced formic aciduria: effect of dose, sex and strain of rat	Toxicology
23041168	20121123	Cytokine expression in trichloroethylene-induced hypersensitivity dermatitis: an in vivo and in vitro study	Toxicology letters

Complexity:	38.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.924948
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.924948
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4