Introduction：Basic information about 1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE CAS 6001-64-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE Basic information
| Product Name: | 1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE |
| Synonyms: | CHLOROBUTANOL HEMIHYDRATE;CHLOROBUTO HEMIHYDRATE;CHLORETONE;CHLORETONE 0.5-WATER;CHLORETONE HEMIHYDRATE;CHLORBUTE;CHLORBUTOL;BETA,BETA,BETA-TRICHLORO-T-BUTANOL HEMIHYDRATE |
| CAS: | 6001-64-5 |
| MF: | C8H16Cl6O3 |
| MW: | 372.93 |
| EINECS: | 611-927-0 |
| Product Categories: | Miscellaneous |
| Mol File: | 6001-64-5.mol |
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1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE Chemical Properties
| Melting point | 77-79 °C(lit.) |
| Boiling point | 173-175 °C |
| Fp | 100 °C |
| storage temp. | 2-8°C |
| solubility | Slightly soluble in water, very soluble in ethanol (96 per cent), soluble in glycerol (85 per cent). |
| form | Crystalline Powder, Crystals and/or Chunks |
| color | White to almost white |
| PH | 4.5-6 (20°C, 7.7g/L in H2O) |
| biological source | mouse |
| Water Solubility | Soluble in ethanol, ether, chloroform, and glycerol. Insoluble in water. |
| Merck | 14,2129 |
| BRN | 878167 |
| Stability: | Stable. Generates toxic fumes on combustion. Incompatible with strong oxidizing agents. |
| Major Application | agriculture
environmental |
| InChI | 1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2 |
| InChIKey | WRWLCXJYIMRJIN-UHFFFAOYSA-N |
| SMILES | O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl |
| LogP | 2.074 (est) |
| CAS DataBase Reference | 6001-64-5 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| RTECS | UC0175000 |
| TSCA | Yes |
| HS Code | 29055900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE Usage And Synthesis
| Chemical Properties | white crystalline solid |
| Uses | 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate in combination with dimethyl sulfone, can serve as an appropriate solvent for the freeze drying of certain parenteral organic drugs, which have an increase in many factors such as stability, dissolution rate, dosing accuracy and sterility. |
| Uses | Pharmaceuticaid (antimicrobial agent). |
| Uses | 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. |
| Brand name | Chloretone (Parke-Davis). |
| 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. |
| Biochem/physiol Actions | Chlorobutanol or 1,1,1-Trichloro-2-methyl-2-propanol is a opthalmic preservative and sedative hypnotic that possess antibacterial and antifungal properties. It also decreases the conduction velocity and induces conduction failure and automaticity within isolated ventricular muscle strips as well as impacts myocardial cells by acting on cell membrane and reduces isometric tension produced by heart. |
1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE Preparation Products And Raw materials
| Raw materials | Chloroform-->Acetone |
