Basic information
- CAS
887354-54-3- Standard SMILES
O=C(O)C(F)(F)C(O)c1cccnc1- InChIKey
IUTDPIPPGFFXPD-UHFFFAOYSA-N- Molecular formula
- C8H7F2NO3
- Average molar mass
- 203.14 g/mol
- Monoisotopic mass
- 203.03939941
Names & identifiers
- Preferred name
- 2,2-Difluoro-3-hydroxy-(3-pyridyl)propionic acid
- IUPAC
- 2,2-difluoro-3-hydroxy-3-pyridin-3-ylpropanoic acid
- English name
- 2,2-Difluoro-3-hydroxy-(3-pyridyl)propionic acid
- Molecular formula
- C8H7F2NO3
- Molecular weight
- 203.14
Names & synonyms
887354-54-32,2-DIFLUORO-3-HYDROXY-(3-PYRIDYL)PROPIONIC ACID2,2-Difluoro-3-hydroxy-3-(3-pyridyl)propanoic AcidMFCD026833112,2-difluoro-3-hydroxy-3-pyridin-3-ylpropanoic acid2,2-DIFLUORO-3-HYDROXY-3-(PYRIDIN-3-YL)PROPANOIC ACIDDTXSID90403182AC8450SY251615DB-292111α,α-Difluoro-β-hydroxy-3-pyridinepropanoic Acid3-Pyridinepropanoic acid, α,α-difluoro-β-hydroxy-
Database identifiers
- CAS
887354-54-3- PubChem CID
- 4427751
- DTXSID
DTXSID90403182
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 175 · 175-176°C
- Boiling point
- 386.1 · 386.1±42.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO, Methanol, Hot Water
- form
- Solid
- pka
- 0.86 · 0.86±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2-Difluoro-3-hydroxy-(3-pyridyl)propionic Acid (cas# 887354-54-3) is a compound useful in organic synthesis.
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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