ISOPRAL

Modify Date: 2025-08-27 19:49:38

ISOPRAL Structure
ISOPRAL structure
Common Name ISOPRAL
CAS Number 76-00-6 Molecular Weight 163.43000
Density 1.483g/cm3 Boiling Point 164.7ºC at 760 mmHg
Molecular Formula C3H5Cl3O Melting Point N/A
MSDS N/A Flash Point 82.2ºC

 Names

Name 1,1,1-trichloropropan-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.483g/cm3
Boiling Point 164.7ºC at 760 mmHg
Molecular Formula C3H5Cl3O
Molecular Weight 163.43000
Flash Point 82.2ºC
Exact Mass 161.94100
PSA 20.23000
LogP 1.73740
Index of Refraction 1.492
InChIKey HCMBPASAOZIEDZ-UHFFFAOYSA-N
SMILES CC(O)C(Cl)(Cl)Cl

 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 DATA

ACUTE 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

 Synthetic Route

 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
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