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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%

Catalog No. AAA1018114
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Quantity:
100 g
25 g
Catalog No. Quantity
AAA1018114 25 g
AAA1018122 100 g
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Catalog No. AAA1018114

Supplier: Thermo Scientific Chemicals A1018114

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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.

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

Hazard Category H302-H315-H319-H335
Hazard Statement GHS H Statement
H302
Harmful if swallowed.
Precautionary Statement P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
EINECSNumber 200-317-6
RTECSNumber UC0175000
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only