| Identification | More | [Name]
4-AMINO-2-FLUOROBENZOIC ACID | [CAS]
446-31-1 | [Synonyms]
2-FLUORO-4-AMINOBENZOIC ACID
4-AMINO-2-FLUOROBENZENECARBOXYLIC ACID
4-AMINO-2-FLUOROBENZOIC ACID
BUTTPARK 22\09-96
4-Amino-2-Fluorobenzoic Acid 2-Fluoro-4-Aminobenzoic Acid | [EINECS(EC#)]
207-163-9 | [Molecular Formula]
C7H6FNO2 | [MDL Number]
MFCD01569397 | [Molecular Weight]
155.13 | [MOL File]
446-31-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
210 °C (dec.) | [Boiling point ]
336.1±27.0 °C(Predicted) | [density ]
1.430±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to crystal | [pka]
3.93±0.10(Predicted) | [color ]
White to Orange to Green | [InChI]
InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11) | [InChIKey]
QHERSCUZBKDVOC-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(N)C=C1F | [CAS DataBase Reference]
446-31-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [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 ]
2922498590 |
| Hazard Information | Back Directory | [Chemical Properties]
mp 216- 216.5°C | [Uses]
peptide synthesis | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
2-Fluoro-4-nitrobenzoic acid (1.0 g, 5.4 mmol) was used as a raw material and dissolved in 20 mL of a solvent mixture of acetic acid and methanol (1:1, v/v). A catalytic amount of palladium carbon (25 mg) was added and the reaction was stirred overnight at room temperature under hydrogen atmosphere. Upon completion of the reaction, the reaction mixture was filtered through diatomaceous earth to remove the catalyst. Subsequently, the solvent was removed by distillation under reduced pressure to afford 4-amino-2-fluorobenzoic acid (0.86 g, 100% yield) as a cream colored solid. | [References]
[1] Journal of Medicinal Chemistry, 2004, vol. 47, # 27, p. 6730 - 6739
[2] Patent: WO2004/11460, 2004, A2. Location in patent: Page 57
[3] Patent: WO2010/132615, 2010, A1. Location in patent: Page/Page column 133
[4] Journal of the American Chemical Society, 1944, vol. 66, p. 1631
[5] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 12, p. 2697 - 2706 |
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