Acetic acid,2,2,2-trichloro-, 1-methylethyl ester

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Names

[ CAS No. ]:
3974-99-0

[ Name ]:
Acetic acid,2,2,2-trichloro-, 1-methylethyl ester

[Synonym ]:
EINECS 223-604-8
Isopropyl trichloroacetate
Acetic acid,trichloro-,1-methylethyl ester
1-Methylethyl trichloroacetate
trichloro-acetic acid,1-methylethyl ester
Caswell No. 513
Trichlor-essigsaeure-isopropylester
Trichloroaetic acid isopropyl ester
trichloro-acetic acid isopropyl ester

Chemical & Physical Properties

[ Density]:
1.377g/cm3

[ Boiling Point ]:
179.4ºC at 760mmHg

[ Molecular Formula ]:
C5H7Cl3O2

[ Molecular Weight ]:
205.46700

[ Flash Point ]:
63.1ºC

[ Exact Mass ]:
203.95100

[ PSA ]:
26.30000

[ LogP ]:
2.30820

[ Index of Refraction ]:
1.468

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ8375500
CHEMICAL NAME :
Acetic acid, trichloro-, 1-methylethyl ester
CAS REGISTRY NUMBER :
3974-99-0
LAST UPDATED :
199806
DATA ITEMS CITED :
3

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 :
3120 uL/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545852
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7500 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545852

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isopropanol
  • Trichloroacetic acid
  • propene
  • Hexachloroacetone
  • bf3

DownStream

  • Cumene
  • 1,4-Diisopropylbenzene
  • Mesityl oxide
  • Acetone
  • Isopropanol
  • Trichloroacetic acid
  • N-butyl-2,2,2-trichloroacetamide

Related Compounds

  • ACETIC ACID, 2,2,2-TRICHLORO-, 1-NAPHTHALENYL ESTER
  • acetic acid-(2,2,2-trichloro-1,1-diphenyl-ethyl ester)
  • Acetic acid,2,2,2-trichloro-, 1,1'-(1,2-ethanediyl) ester
  • (-)-Acetic acid 2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl ester
  • acetic acid,2,2,2-trichloro-1-[(2-methylpropan-2-yl)oxy]ethanol
  • acetic acid,2,2,2-trichloro-1-(5,5,5-trichloropentylsulfanyl)ethanol
  • 1-({[(Tert-butoxy)carbonyl]amino}methyl)-2-oxabicyclo[3.1.1]heptane-5-carboxylic acid
  • 2-amino-4-(N-methylmethanesulfonamido)butanamide
  • 4,4,4-Trifluoro-3-(trifluoromethyl)butanimidamide
  • Tert-butyl 4-(aminomethyl)-4-(3-fluoropyridin-4-yl)piperidine-1-carboxylate
  • (1-But-3-ynyl-3-methylpiperidin-3-yl)methanol
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