2-fluoro-3-phenyl-propanoic acid

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Names

[ CAS No. ]:
457-45-4

[ Name ]:
2-fluoro-3-phenyl-propanoic acid

[Synonym ]:
WLN: QVYF1R
(RS)-2-fluoro-3-phenylpropionic acid
(+/-)-2-fluoro-3-phenylpropionic acid
fluorophenylproprionic acid
2-Fluor-3-phenyl-propionsaeure

Chemical & Physical Properties

[ Density]:
1.207g/cm3

[ Boiling Point ]:
279.1ºC at 760 mmHg

[ Molecular Formula ]:
C9H9FO2

[ Molecular Weight ]:
168.16500

[ Flash Point ]:
122.6ºC

[ Exact Mass ]:
168.05900

[ PSA ]:
37.30000

[ LogP ]:
1.65180

[ Vapour Pressure ]:
0.00196mmHg at 25°C

[ Index of Refraction ]:
1.517

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5296000
CHEMICAL NAME :
Hydrocinnamic acid, alpha-fluoro-
CAS REGISTRY NUMBER :
457-45-4
BEILSTEIN REFERENCE NO. :
2362893
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-F-O2
MOLECULAR WEIGHT :
168.18
WISWESSER LINE NOTATION :
QVYF1R

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#02946

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • DL-Phenylalanine
  • ethyl 2-fluoro-3-phenylpropanoate
  • 2-fluoro-3-phenyl propane-1-oate de methyle
  • ethyl α-nitro-β-phenylpropionate
  • Methyl 2-hydroxy-3-phenylpropanoate

DownStream

Related Compounds

  • 2-carbamoyl-2-fluoro-3-phenyl-propanoic acid
  • 2-FLUORO-3-(TRIFLUOROMETHYL)-DL-PHENYLALANINE
  • 2-(carboxymethylcarbamoylamino)-3-phenyl-propanoic acid
  • 2-hydrazinyl-3-phenyl-propanoic acid
  • 2-chloro-3-phenyl-propanoic acid
  • 2-fluoro-3-phenyl-2-butenoic acid
  • 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
  • 1-{2-[(trifluoromethyl)sulfanyl]ethyl}-1H-imidazol-4-amine
  • 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