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Merck
CN

112054

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

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

Key Documents

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InChI key

WRWLCXJYIMRJIN-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

98%

form

solid

mp

77-79 °C (lit.)

functional group

chloro

Quality Level

200

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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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

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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Certificates of Analysis (COA)

Lot/Batch Number
SDBB0430
SDBB0429
STBL0758
STBK8400
STBK8399

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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
Antoni Ivorra
PloS one, 6(8), e23456-e23456 (2011-08-19)
Miniaturization of active implantable medical devices is currently compromised by the available means for electrically powering them. Most common energy supply techniques for implants--batteries and inductive couplers--comprise bulky parts which, in most cases, are significantly larger than the circuitry they
Jared Talbot et al.
The Journal of experimental biology, 214(Pt 7), 1063-1067 (2011-03-11)
Changes in animal behavior resulting from genetic or chemical intervention are frequently used for phenotype characterizations. The majority of these studies are qualitative in nature, especially in systems that go beyond the classical model organisms. Here, we introduce a quantitative
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
Vladimir S Mashanov et al.
Frontiers in zoology, 14, 12-12 (2017-03-03)
Regeneration of the damaged central nervous system is one of the most interesting post-embryonic developmental phenomena. Two distinct cellular events have been implicated in supplying regenerative neurogenesis with cellular material - generation of new cells through cell proliferation and recruitment
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