4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoic acid

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Names

[ CAS No. ]:
1763-28-6

[ Name ]:
4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoic acid

[Synonym ]:
4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid
EINECS 217-180-3

Chemical & Physical Properties

[ Density]:
1.577g/cm3

[ Boiling Point ]:
222.4ºC at 760mmHg

[ Molecular Formula ]:
C5H2F6O2

[ Molecular Weight ]:
208.05900

[ Flash Point ]:
88.3ºC

[ Exact Mass ]:
207.99600

[ PSA ]:
37.30000

[ LogP ]:
2.12200

[ Vapour Pressure ]:
0.0377mmHg at 25°C

[ Index of Refraction ]:
1.339

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9260000
CHEMICAL NAME :
2-Butenoic acid, 4,4,4-trifluoro-3-trifluoromethyl-
CAS REGISTRY NUMBER :
1763-28-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H2-F6-O2
MOLECULAR WEIGHT :
208.07
WISWESSER LINE NOTATION :
FXFFYU1VQXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05556

Safety Information

[ Hazard Codes ]:
C: Corrosive;Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
UN 3265

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Oxetanone,4,4-bis(trifluoromethyl)-
  • 3,3-bis(trifluoromethyl)-3-hydroxypropionic acid
  • 1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-butanoic acid ethyl ester

DownStream

  • 4,4,4,4',4',4'-Hexafluoro-DL-valine
  • ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate
  • ethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
  • 4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)BUTANOIC ACID
  • 4,4,4,4',4',4'-Hexafluorovaline,ethylester

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • (2R)-1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]acetyl}piperidine-2-carboxylic acid
  • Tert-butyl 9-(2-fluorophenyl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
  • 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)-
  • (2S)-2-amino-2-[3-(morpholin-4-yl)-1,2,4-oxadiazol-5-yl]ethane-1-thiol
  • (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