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Product No: AA6986

2,2,2-Trichloroethanol, 98%

Name: 2,2,2-Trichloroethanol
Brand: Chempure

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CAS Number

115-20-8

Molecular Weight

149.40

Formula

C2H3Cl3O

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IUPAC name	2,2,2-trichloroethanol
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
molecular formula	C2H3Cl3O
synonyms	2,2,2-TRICHLOROETHANOL 115-20-8 Trichloroethanol Trichloroethyl alcohol Trichlorethanol
Compound Description	2,2,2-trichloroethanol is a chloroethanol. It has a role as a mouse metabolite. 2,2,2-Trichloroethanol is a natural product found in Bos taurus and Euglena gracilis with data available.

Computed Properties

Molecular Weight:	149.40 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	147.924948 g/mol
Monoisotopic Mass:	147.924948 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	38.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Cyclohexanol

2-Methoxyethanol

Acetoin

Isobutanol

Cyclopentanol

Hydroxyacetone

3-Methyl-2-butanol

2,2,2-Trichloroethanol

2-Methoxy-1-propanol

2-Chloro-1-propanol

Methionol

2,3-Dichloro-1-propanol

Neopentyl alcohol

2,2,2-Trifluoroethanol

Cyclobutanol

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (10.2%) Eye Dam. 1 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (10.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
hazards summary	Causes changes in lungs in oral lethal-dose studies of mice and rats. Causes changes in urine, red blood cells, and renal function tests in repeated dose oral studies of rats. A metabolite of chloral hydrate and trichloroethylene. An irritant. See Chloral hydrate.

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2,2,2-trichloroethanol
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
molecular formula	C2H3Cl3O
synonyms	2,2,2-TRICHLOROETHANOL 115-20-8 Trichloroethanol Trichloroethyl alcohol Trichlorethanol
Compound Description	2,2,2-trichloroethanol is a chloroethanol. It has a role as a mouse metabolite. 2,2,2-Trichloroethanol is a natural product found in Bos taurus and Euglena gracilis with data available.

Computed Properties

Molecular Weight:	149.40 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	147.924948 g/mol
Monoisotopic Mass:	147.924948 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	38.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Cyclohexanol

2-Methoxyethanol

Acetoin

Isobutanol

Cyclopentanol

Hydroxyacetone

3-Methyl-2-butanol

2,2,2-Trichloroethanol

2-Methoxy-1-propanol

2-Chloro-1-propanol

Methionol

2,3-Dichloro-1-propanol

Neopentyl alcohol

2,2,2-Trifluoroethanol

Cyclobutanol

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (10.2%) Eye Dam. 1 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (10.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
hazards summary	Causes changes in lungs in oral lethal-dose studies of mice and rats. Causes changes in urine, red blood cells, and renal function tests in repeated dose oral studies of rats. A metabolite of chloral hydrate and trichloroethylene. An irritant. See Chloral hydrate.

Product No: AA6986

2,2,2-Trichloroethanol, 98%

Product No: AA6986

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6986

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?