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

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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine