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
• Linear Formula: Cl₃CC(CH₃)₂OH · 0.5H₂O
• CAS Number: 6001-64-5
• Molecular Weight: 186.46
• Beilstein: 878167
• EC Number: 249-042-3
• MDL number: MFCD02179352
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847062
• NACRES: NA.22

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 212.0 °F - closed cup
• Flash Point(C): 100 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves