Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

Names

[ CAS No. ]:
360-54-3

[ Name ]:
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

[Synonym ]:
methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate
Methyl hexafluoroisobutyrate
ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER
2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester
PC5184E
methyl 2-hydrohexafluoroisobutyrate
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
2-hydrohexafluoroisobutyric acid methyl ester
Methyl 2,2-Bis(trifluoromethyl)acetate

Chemical & Physical Properties

[ Density]:
1.604

[ Boiling Point ]:
90-91ºC

[ Molecular Formula ]:
C5H4F6O2

[ Molecular Weight ]:
210.07400

[ Flash Point ]:
60ºC

[ Exact Mass ]:
210.01200

[ PSA ]:
26.30000

[ LogP ]:
1.90020

[ Index of Refraction ]:
1.269

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ4690000
CHEMICAL NAME :
Isobutyric acid, hexafluoro-, methyl ester
CAS REGISTRY NUMBER :
360-54-3
BEILSTEIN REFERENCE NO. :
1787515
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H4-F6-O2
MOLECULAR WEIGHT :
210.09
WISWESSER LINE NOTATION :
FXFFYXFFFVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969

Safety Information

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S16;S26;S36/S37/S39

[ RIDADR ]:
UN 3272

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl ether
  • Methanol

DownStream

  • Fluoro(trimethyl)silane
  • methyl 3-fluoro-3-morpholino-2-(trifluoromethyl)acrylate
  • (Z)-methyl 3-(diethylamino)-3-fluoro-2-(trifluoromethyl)acrylate
  • methyl 3-fluoro-3-(methylamino)-2-(trifluoromethyl)acrylate
  • Methyl 3,3,3-trifluoropropionate
  • dimethyl 2-(trifluoromethyl)propanedioate
  • methyl pentafluoromethacrylate
  • trimethylmethane tricarboxylate
  • 3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
  • 1-O-(chloromethyl) 3-O-methyl 2-chloro-2-(trifluoromethyl)propanedioate

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%