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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 Segment

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

Signal Word

Warning

Hazard Codes

H302

Precautionary Statements

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 (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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