| Identification | More | [Name]
3,5-Difluoromandelic acid | [CAS]
132741-31-2 | [Synonyms]
3,5-DIFLUORO-ALPHA-HYDROXYPHENYLACETIC ACID
3,5-DIFLUOROMANDELIC ACID
alpha-Hydroxy-3,5-difluorophenylacetic acid
à-hydroxy-3,5-difluorophenylacetic acid
3,5-DIFLUORO-A-HYDROXYPHENYLACETIC ACID
3,5-DIFLUOROMANDELIC ACID 98+% | [EINECS(EC#)]
670-875-7 | [Molecular Formula]
C8H6F2O3 | [MDL Number]
MFCD00061300 | [Molecular Weight]
188.13 | [MOL File]
132741-31-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
135-139 °C (lit.) | [Boiling point ]
306.5±37.0 °C(Predicted) | [density ]
1.522±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
crystalline solid | [pka]
3.10±0.10(Predicted) | [color ]
White | [InChI]
1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13) | [InChIKey]
PHMLPPFFMSRWBK-UHFFFAOYSA-N | [SMILES]
OC(C(O)=O)c1cc(F)cc(F)c1 | [CAS DataBase Reference]
132741-31-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29181990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
3,5-Difluoromandelic acid is also known as α-hydroxy-3,5-difluorophenylacetic acid. Racemic 3,5-difluoromandelic acid undergoes optical resolution in the presence of (1R,2R)-(-)-pseudoephedrine in isopropanol to afford (S)-form. | [General Description]
3,5-Difluoromandelic acid is also known as α-hydroxy-3,5-difluorophenylacetic acid. Racemic 3,5-difluoromandelic acid undergoes optical resolution in the presence of (1R,2R)-(-)-pseudoephedrine in isopropanol to afford (S)-form. |
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