1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%, ACROS Organics™

Brand:  Acros Organics 150305000

Product Code. 10051650

Chemical Identifiers

• CAS: 6001-64-5
• Molecular Weight (g/mol): 186.47
• InChI Key: HBARVHNVVKZUGS-UHFFFAOYSA-N
• PubChem CID: 102594540
• SMILES: [HH].CC(C)(C(Cl)(Cl)Cl)O.O

• Molecular Formula: ₀·5 H₂O
• MDL Number: MFCD02179352
• Synonym: c4h7cl3o.1/2h2o, 1,1,1-trichloro-2-methyl-2-propanol hemihydrate, chlorobutanol hydrogen ion hydrate
• IUPAC Name: molecular hydrogen;1,1,1-trichloro-2-methylpropan-2-ol;hydrate

Specifications

• Chemical Name or Material: 1, 1, 1-Trichloro-2-methyl-2-propanol hemihydrate
• Infrared Spectrum: Authentic
• Water: 4.5 to 5.5% (K.F.)
• Color: White
• Quantity: 500g
• CAS: 6001-64-5
• CAS Max %: 100.0
• Molecular Formula: ₀·5 H₂O
• MDL Number: MFCD02179352
• Solubility Information: Solubility in water: 7.7g/L (20°C). Other solubilities: soluble in ethanol,ether,chloroform,glycerol
• SMILES: [HH].CC(C)(C(Cl)(Cl)Cl)O.O
• Molecular Weight (g/mol): 186.47
• Formula Weight: 186.47
• Percent Purity: 98%

• Flash Point: 100°C
• Packaging: Plastic bottle
• Boiling Point: 173°C to 175°C
• Melting Point: 75°C to 79°C
• Name Note: 98%
• CAS Min %: 97.5
• Assay Percent Range: 97.5 to 102.5% (ex Cl) (Argentometry)
• Linear Formula: ₀·5H₂O
• Synonym: c4h7cl3o.1/2h2o, 1,1,1-trichloro-2-methyl-2-propanol hemihydrate, chlorobutanol hydrogen ion hydrate
• InChI Key: HBARVHNVVKZUGS-UHFFFAOYSA-N
• IUPAC Name: molecular hydrogen;1,1,1-trichloro-2-methylpropan-2-ol;hydrate
• PubChem CID: 102594540
• Physical Form: Crystalline Powder, Crystals and/or Chunks