2,6-Dichlorophenethyl Alcohol - CAS 30595-79-0

Catalog:	BB020658
Product Name:	2,6-Dichlorophenethyl Alcohol
CAS:	30595-79-0
Synonyms:	2-(2,6-dichlorophenyl)ethanol; 2-(2,6-dichlorophenyl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(2,6-dichlorophenyl)ethanol
Description:	2,6-Dichlorophenethyl Alcohol (CAS# 30595-79-0) is a useful research chemical.
Molecular Weight:	191.05
Molecular Formula:	C8H8Cl2O
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)CCO)Cl
InChI:	InChI=1S/C8H8Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
InChI Key:	ZBQPKQUIKJDGIX-UHFFFAOYSA-N
Boiling Point:	152 °C / 12 mmHg
Density:	1.329 g/cm³
Solubility:	Soluble in methanol
Appearance:	White crystals
LogP:	2.52820

Publication Number	Title	Priority Date
WO-2021069721-A1	Atf6 modulators and uses thereof	20191009
US-10696662-B2	5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators	20170821
US-2019055226-A1	5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual sglt1 / sglt2 modulators	20170821
US-2020291004-A1	5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual sglt1 / sglt2 modulators	20170821
US-11014917-B2	5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators	20170821

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9952203
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.9952203
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8