2,5-Difluoro-D-phenylalanine
Basic information
- CAS
266360-61-6- Standard SMILES
N[C@H](Cc1cc(F)ccc1F)C(=O)O- InChIKey
YHYQITHAFYELNW-MRVPVSSYSA-N- Molecular formula
- C9H9F2NO2
- Average molar mass
- 201.17 g/mol
- Monoisotopic mass
- 201.06013497
Names & identifiers
- Preferred name
- 2,5-Difluoro-D-phenylalanine
- IUPAC
- (2R)-2-amino-3-(2,5-difluorophenyl)propanoic acid
- English name
- 2,5-Difluoro-D-phenylalanine
- Molecular formula
- C9H9F2NO2
- Molecular weight
- 201.17
Names & synonyms
2,5-Difluoro-D-phenylalanine266360-61-6DTXSID90351992RefChem:247429DTXCID50303058(r)-2-amino-3-(2,5-difluorophenyl)propanoic acid(2R)-2-amino-3-(2,5-difluorophenyl)propanoic acidMFCD07371999D-Phenylalanine,2,5-difluoro-(R)-2-Amino-3-(2,5-difluorophenyl)propanoicacid(r)-2-amino-3-(2,5-difluoro-phenyl)-propionic acidd-2,5-difluorophenylalanine
Show more names
5-difluoro-D-phenylalanineD-Phenylalanine, 2,5-difluoro-2,5-Difluoro-D-phenylalanine USP/EP/BP(2R)-2-amino-3-(2,5-difluorophenyl)propanoicaci
AKOS012010226AS-37653SY238915CS-0170902F034423(r)-2-amino-3-(2,5-difluorophenyl)propionic acid
Database identifiers
- CAS
266360-61-6- PubChem CID
- 716293
- DTXSID
DTXSID90351992- EC Number
- 674-659-3
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 304.2 · 304.2±42.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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