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  6. 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%

Product Code. 11439482
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Product Code. 11439482 Supplier Thermo Scientific Alfa Aesar Supplier No. A10181.14
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Description

CAS: 6001-64-5 | C4H11Cl3O2 | 197.48 g/mol

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate converts benzisoxazole to α-aryloxyisobutyric acid. It 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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate converts benzisoxazole to α-aryloxyisobutyric acid. It 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.

Solubility
Soluble in ethanol, ether, chloroform, and glycerol. Insoluble in water.

Notes
Incompatible with oxidizing agents. Store in a cool, dry condition in well sealed containers.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 6001-64-5
Molecular Formula C4H11Cl3O2
Molecular Weight (g/mol) 197.48
MDL Number MFCD00004461
InChI Key HBARVHNVVKZUGS-UHFFFAOYSA-N
Synonym c4h7cl3o.1/2h2o, 1,1,1-trichloro-2-methyl-2-propanol hemihydrate, chlorobutanol hydrogen ion hydrate
PubChem CID 102594540
IUPAC Name molecular hydrogen;1,1,1-trichloro-2-methylpropan-2-ol;hydrate
SMILES [HH].CC(C)(C(Cl)(Cl)Cl)O.O

Specifications

Melting Point 98°C to 100°C (anhydrous)
Boiling Point 167°C
Flash Point >100°C (212°F)
Quantity 25 g
Beilstein 878167
Merck Index 14,2129
Solubility Information Soluble in ethanol,ether,chloroform,and glycerol. Insoluble in water.
Formula Weight 186.47 (177.46 Anhydrous)
Percent Purity 98%
Chemical Name or Material 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

Safety and Handling

compliance-icons
Product Identifier
  • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
 Signal Word
  • Warning
 Hazard Category
  • Acute toxicity Category 4
 Hazard Statement
  • H302-Harmful if swallowed.
 Precautionary Statement
  • P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
  • P280-Wear protective gloves/protective clothing/eye protection/face protection.
  • P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
 Supplemental information
  • MIXTURE LIST-Contains : 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
SDS

RUO – Research Use Only

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