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112054

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

Name: 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
Brand: ALDRICH

98%

Synonym(s):

β,β,β-Trichloro-t-butanol, β,β,β-Trichloro-tert-butyl alcohol hemihydrate, Acetone chloroform, Chloretone, Chlorobutanol

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About This Item

Linear Formula:

Cl₃CC(CH₃)₂OH · 0.5H₂O

CAS Number:

6001-64-5

Molecular Weight:

186.46

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847062

EC Number:

249-042-3

Beilstein/REAXYS Number:

878167

MDL number:

MFCD02179352

Assay:

98%

Form:

solid

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Properties

Quality Level

200

assay

98%

form

solid

mp

77-79 °C (lit.)

functional group

chloro

SMILES string

O.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

General description

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) converts benzisoxazole to α-aryloxyisobutyric acid. 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) forms eutectic with dimethyl sulfone, which is the most suitable media for freeze-drying due to its high solubilizing ability and a good rate of solvent removal.

Application

1,1,1-Trichloro-2-methyl-2-propanol (chlorobutanol) is a preservative that can be quantified using capillary electrophoretic method.

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pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P301 + P312 + P330

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

dust mask type N95 (US), Eyeshields, Gloves

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Freeze-drying above room temperature.

M S Tesconi et al.

Journal of pharmaceutical sciences, 88(5), 501-506 (1999-05-07)

This study investigates the use of solid, organic compounds to lyophilize drugs without conventional freeze-drying equipment. The aim of the investigation is to find a pharmaceutically acceptable solvent or solvent combination that is appropriate for freeze-drying on the basis of

An efficient synthesis of a dual PPAR alpha/gamma agonist and the formation of a sterically congested alpha-aryloxyisobutyric acid via a Bargellini reaction.

Raymond J Cvetovich et al.

The Journal of organic chemistry, 70(21), 8560-8563 (2005-10-08)

A practical synthesis of benzisoxazole 1 and its conversion to alpha-aryloxyisobutyric acid 2 using 1,1,1-trichloro-2-methyl-2-propanol (chloretone) was developed. Benzisoxazole 1 was formed in high yields by the action of either methanesulfonyl chloride/base upon intermediate oxime 8 or with thionyl chloride/base

Application of a capillary electrophoresis method for simultaneous determination of preservatives in pharmaceutical formulations.

Małgorzata Jaworska et al.

Journal of separation science, 28(2), 137-143 (2005-03-10)

Preservatives are used to protect pharmaceutical formulations from microbial attack during the period of administration to the patient. Because of their biological activity, preservatives have to be identified and assayed according to the same rules as apply to active components.

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Global Trade Item Number

SKU	GTIN
112054-250G	04061838699510
112054-500G	04061838699527
112054-50G	04061838699534