Introduction：Basic information about CAS 76-00-6|ISOPRAL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ISOPRAL |
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| CAS Number | 76-00-6 | Molecular Weight | 163.43000 |
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| Density | 1.483g/cm3 | Boiling Point | 164.7ºC at 760 mmHg |
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| Molecular Formula | C3H5Cl3O | Melting Point | / |
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| MSDS | / | Flash Point | 82.2ºC |
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Names
| Name | 1,1,1-trichloropropan-2-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.483g/cm3 |
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| Boiling Point | 164.7ºC at 760 mmHg |
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| Molecular Formula | C3H5Cl3O |
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| Molecular Weight | 163.43000 |
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| Flash Point | 82.2ºC |
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| Exact Mass | 161.94100 |
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| PSA | 20.23000 |
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| LogP | 1.73740 |
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| Index of Refraction | 1.492 |
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| InChIKey | HCMBPASAOZIEDZ-UHFFFAOYSA-N |
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| SMILES | CC(O)C(Cl)(Cl)Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UB9800000
- CHEMICAL NAME :
- 2-Propanol, 1,1,1-trichloro-
- CAS REGISTRY NUMBER :
- 76-00-6
- BEILSTEIN REFERENCE NO. :
- 1734805
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C3-H5-Cl3-O
- MOLECULAR WEIGHT :
- 163.43
- WISWESSER LINE NOTATION :
- QY1&XGGG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 63,183,1938
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933 Volume(issue)/page/year: -,-,1933
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 93 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 143 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
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Synonyms
| 2,2,2-Trichloro-1-methylethanol |
| 2-Propanol,1,1,1-trichloro |
| 1,1,1-Trichloro-2-propanol |
| Isopral |
| 1,1,1-Trichlor-propan-2-ol |
| 1,1,1-Trichloroisopropyl alcohol |
| 1,1,1-trichloro-propan-2-ol |
| EINECS 200-924-6 |
| Trichloro-2-propanol |
| Trichloroisopropanol |
