CID 6926992
Basic information
- CAS
7423-96-3- Standard SMILES
[NH3+][C@@H](Cc1ccc(O)c(F)c1)C(=O)[O-]- InChIKey
VIIAUOZUUGXERI-ZETCQYMHSA-N- Molecular formula
- C9H10FNO3
- Average molar mass
- 199.18 g/mol
- Monoisotopic mass
- 199.06447134
Overview
3-Fluoro-L-tyrosine is a solid. This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid. 3-Fluoro-L-tyrosine targets the protein superoxide dismutase [mn], mitochondrial.
Names & identifiers
- Preferred name
- CID 6926992
- IUPAC
- (2S)-2-azaniumyl-3-(3-fluoro-4-hydroxyphenyl)propanoate
- English name
- 3-Fluoro-L-tyrosine
- Molecular formula
- C9H10FNO3
- Molecular weight
- 199.18
Names & synonyms
H-Tyr(3-F)-OH(S)-3-Fluorotyrsine3-Fluoro-L-tyrosine(S)-3-FLUOROTYROSINEL-Tyrosine, 3-fluoro-3-Fluoro-L-tyrosine97%3-Fluoro-L-tyrosine>3-Fluoro-L-tyrosine 97%3-FLUORO-L-TYROSINE 98+%3-FLUORO-L-TYROSINE USP/EP/BP
Database identifiers
- CAS
7423-96-3- PubChem CID
- 6926992
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 260 · 260-261°C
- Boiling point
- 362.4 · 362.4±42.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- refractive index
- -9 ° · -9 ° (C=1, 1mol/L HCl)
- Flash point
- 110 °C · >110°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 2.21 · 2.21±0.20(Predicted)
- color
- White to Light gray to Light yellow
- Water Solubility
- Soluble in water (9.8 g/L).
- BRN
- 3204802 · 3204802
- Stability
- Stable. Incompatible with strong oxidizing agents, strong reducing agents.
- CAS DataBase Reference
- 7423 · 7423-96-3(CAS DataBase Reference)
- FDA UNII
- 174 NRG3M2X · 174NRG3M2X
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2922498590
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 22-24/25
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Applications
Uses3-Fluoro-L-tyrosine is used as pharma and intermediates.
Additional notes
DefinitionChEBI: 3-fluoro-L-tyrosine is a 3-fluorotyrosine, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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