112054
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
98%
Sinónimos:
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
Fórmula lineal:
Cl3CC(CH3)2OH · 0.5H2O
Número de CAS:
Peso molecular:
186.46
Beilstein/REAXYS Number:
878167
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
Categorías relacionadas
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.
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk_germany
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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PloS one, 6(8), e23456-e23456 (2011-08-19)
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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
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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
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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