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

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.

Specifications

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

• 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

SDS

RUO – Research Use Only