ISOPRAL

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Names

[ CAS No. ]:
76-00-6

[ Name ]:
ISOPRAL

[Synonym ]:
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

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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

Chloroform
1,1-Ethanediol Diacetate
METHYLMAGNESIUM BROMIDE
Chloral
vinyl acetate
ch3cho
tributyl-trichloromethyl-stannane
Allylbenzene
1,1,1-Trichloropropanone
dimethylaluminum chloride

DownStream

2-Propanone,1,1-dichloro-
1,1,1-Trichloropropanone
Acetic acid 1-methyl-2,2,2-trichloroethyl ester
3,3,3-Trichloropropene
1,1-Diphenylacetone
1,1-DICHLOROPROPENE
(2R)-2-Chloropropanoyl chloride
1,1,2-trichloropropene
1,1,1-trichloroisopropyl α-chloropropionate
Propanoic acid,2-ethoxy-, ethyl ester

Related Compounds

(2E)-3-(2-Chloro-6-fluorophenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
Dimethyl 4-{4-[(2-furylcarbonyl)oxy]-3-methoxyphenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
3-[3-oxo-3-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)propyl]-1,2,3-benzotriazin-4(3H)-one
5-chloro-N-(5-chloropyridin-2-yl)-2-fluorobenzamide
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
2-(4-acetyl-1,4-diazepan-1-yl)-N-benzylacetamide
N-{3-[4-(dimethylamino)phenyl]propyl}-4-phenyloxane-4-carboxamide
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
1-[2-(4-Methylphenyl)cyclopropyl]ethan-1-one

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