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1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

Name: 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
Brand: SIAL
Price: 902 USD
Availability: InStock

meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)

Synonym(s):

β,β,β-Trichloro-tert-butyl alcohol hemihydrate, Acetone chloroform, Chlorobutanol

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Size/SKU	Availability	Price
2.5 kg	Available to ship TODAY	$902.00

About This Item

Linear Formula:

Cl₃CC(CH₃)₂OH · 0.5H₂O

CAS Number:

6001-64-5

Molecular Weight:

186.46

UNSPSC Code:

41116107

NACRES:

NA.21

PubChem Substance ID:

57647873

EC Number:

249-042-3

Beilstein/REAXYS Number:

878167

MDL number:

MFCD02179352

eCl@ss:

32120505

Assay:

98-100.5% (calc with ref. to anhyd. subst.)

Form:

solid

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Properties

Quality Segment

200

assay

98-100.5% (calc with ref. to anhyd. subst.)

form

solid

quality

meets analytical specification of Ph. Eur., BP, NF

impurities

≤0.002% heavy metals (as Pb), 4.5-5.5% water (Karl Fischer)

ign. residue

≤0.1% (as SO₄)

mp

76-80 °C

anion traces

chloride (Cl^-): ≤100 mg/kg

application(s)

pharmaceutical (small molecule)

SMILES string

O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl

InChI

1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2

InChI key

WRWLCXJYIMRJIN-UHFFFAOYSA-N

Description

Application

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) is a preservative used as a standard for quantifying preservatives in pharmaceutical formulations by using capillary electrophoretic method. It has also been used to anesthetize leeches for preparing c-DNA library from regenerating retzius cells.

Biochem/physiol Actions

Chlorobutanol or 1,1,1-Trichloro-2-methyl-2-propanol is a opthalmic preservative and sedative hypnotic that possess antibacterial and antifungal properties. It also decreases the conduction velocity and induces conduction failure and automaticity within isolated ventricular muscle strips as well as impacts myocardial cells by acting on cell membrane and reduces isometric tension produced by heart.

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This Item	112054	Y0002029	PHR1545
Sigma-Aldrich 20801 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate	Sigma-Aldrich 112054 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate	Y0002029 Chlorobutanol hemihydrate	Supelco PHR1545 Chlorobutanol
description meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)	description 98%	description European Pharmacopoeia (EP) Reference Standard	description Pharmaceutical Secondary Standard; Certified Reference Material
assay 98-100.5% (calc with ref. to anhyd. subst.)	assay 98%	assay -	assay -
Quality Level 200	Quality Level 200	Quality Level -	Quality Level 300
form solid	form solid	form -	form -
mp 76-80 °C	mp 77-79 °C (lit.)	mp -	mp -
quality meets analytical specification of Ph. Eur., BP, NF	quality -	quality -	quality -
application(s) pharmaceutical (small molecule)	application(s) -	application(s) -	application(s) pharmaceutical (small molecule) pharmaceutical

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Pictograms

GHS07

Signal Word

Warning

Hazard Codes

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

212.0 °F - closed cup

Flash Point (°C)

100 °C - closed cup

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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