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:
Molecular Weight:
186.46
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
249-042-3
Beilstein/REAXYS Number:
878167
MDL number:
Assay:
98%
Form:
solid
Quality Segment
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
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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signalword
Warning
hcodes
pcodes
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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