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| CAS No.: | 51543-39-6 |
|---|---|
| Name: | (S)-(+)-2-FLUORO-ALPHA-METHYL-4-BIPHENYLACETIC ACID |
| Article Data: | 70 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H13FO2 |
| Molecular Weight: | 244.265 |
| Synonyms: | [1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,(S)-;(+)-(S)-Flurbiprofen;(+)-Flurbiprofen;(2S)-2-(2-Fluoro-1,1'-biphenyl-4-yl)propanoicacid;(2S)-2-(2-Fluoro-4-biphenyl)propanoic acid;(S)-Flurbiprofen;Dexflurbiprofen;Esflurbiprofen;S-(+)-Flurbiprofen;d-Flurbiprofen; |
| EINECS: | 257-263-1 |
| Density: | 1.199 g/cm3 |
| Melting Point: | 109-110 °C(lit.) |
| Boiling Point: | 376.2 °C at 760 mmHg |
| Flash Point: | 181.3 °C |
| Appearance: | White to yellowish crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25 |
| Safety: | 36/37/39-45 |
| PSA: | 37.30000 |
| LogP: | 3.68080 |
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Chemistry
Molecular Structure of [1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,(aS)- (CAS No.51543-39-6):
Molecular Formula: C15H13FO2
Molecular Weight: 244.2609
IUPAC Name: (2S)-2-(3-Fluoro-4-phenylphenyl)propanoic acid
CAS No: 51543-39-6
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.567
Molar Refractivity: 66.58 cm3
Molar Volume: 203.6 cm3
Surface Tension: 44 dyne/cm
Density: 1.199 g/cm3
Flash Point: 181.3 °C
Enthalpy of Vaporization: 65.81 kJ/mol
Boiling Point: 376.2 °C at 760 mmHg
Melting Point: 109-110 °C(lit.)
Vapour Pressure: 2.5E-06 mmHg at 25°C
InChI: InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKey: SYTBZMRGLBWNTM-UHFFFAOYAJ
Std. InChI: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Std. InChIKey: SYTBZMRGLBWNTM-UHFFFAOYSA-N
Safety Profile
Safety Information of [1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,(aS)- (CAS No.51543-39-6):
Hazard Codes: T
T
Risk Statements: 25
S25:Avoid contact with eyes.
Safety Statements: 36/37/39-45
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
Specification
[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,(aS)- (CAS No.51543-39-6), it also can be called [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-alpha-methyl- ; 2-(2-Fluorobiphenyl-4-yl)propanoic acid ; 2-Fluoro-alpha-methyl[1,1'-biphenyl]-4-acetic acid . It is white to yellowish crystalline powder .