Chloroxylenol-[d6]

Category	Influenza Virus
CAS	1407521-66-7
Description	Chloroxylenol-[d6], is the labelled analogue of Chloroxylenol. Chloroxylenol is an antiseptic and disinfectant.

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Synonyms	Chloroxylenol-d6
IUPAC Name	4-chloro-3,5-bis(trideuteriomethyl)phenol
Molecular Weight	162.65
Molecular Formula	C8H3D6ClO
Canonical SMILES	CC1=CC(=CC(=C1Cl)C)O
InChI	InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3/i1D3,2D3
InChIKey	OSDLLIBGSJNGJE-WFGJKAKNSA-N
Boiling Point	246.0±0.0 °C at 760 mmHg
Melting Point	114-116°C
Flash Point	105.9±25.9 °C
Purity	98% (CP); 98% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C
Complexity	104
Exact Mass	162.0718531
Index Of Refraction	1.558
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	Bacterial; Influenza Virus
Vapor Pressure	0.0±0.5 mmHg at 25°C
XLogP3-AA	2