| Identification | More | [Name]
5-Bromofuroic acid | [CAS]
585-70-6 | [Synonyms]
5-BROMO-2-FURANCARBOXYLIC ACID
5-BROMO-2-FUROIC ACID
5-BROMO-FURAN-2-CARBOXYLIC ACID
5-BROMOFUROIC ACID
5-BROMOPYROMUCIC ACID
AKOS AUF0674
AKOS BBB/212
AKOS BBS-00003743
OTAVA-BB BB0125160212
RARECHEM AL BE 0601
TIMTEC-BB SBB003644
2-Furancarboxylic acid, 5-bromo-
2-Furoic acid, 5-bromo-
5-bromo-2-furanecarboxylic acid
5-Bromo-2-furoicacid,99%
5-BROMO-2-FUROIC ACID 99% | [EINECS(EC#)]
209-559-7 | [Molecular Formula]
C5H3BrO3 | [MDL Number]
MFCD00003239 | [Molecular Weight]
190.98 | [MOL File]
585-70-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to cream or beige crystalline flakes | [Melting point ]
188-190 °C(lit.) | [Boiling point ]
281.6±25.0 °C(Predicted) | [density ]
1.7703 (rough estimate) | [refractive index ]
1.4690 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Flakes or Powder | [pka]
2.84±0.10(Predicted) | [color ]
White to cream or beige | [BRN ]
118354 | [InChI]
1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) | [InChIKey]
YVTQHZDUDUCGRD-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(Br)o1 | [CAS DataBase Reference]
585-70-6(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Bromofuroic acid(585-70-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
36 | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29321900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
white to cream or beige crystalline flakes | [Uses]
5-Bromofuroic acid serves as a precursor for synthesizing 4-(methoxycarbonyl)phenyl 5-bromofuran-2-carboxylate via Steglich esterification with methylparaben, using DCC and DMAP[6]. | [Synthesis]
Furan-2-carboxylic acid (2.50 g, 22.3 mmol) was used as starting material and dissolved in a solvent mixture of glacial acetic acid (2.0 ml) and carbon tetrachloride (20.0 ml). Bromine (0.8 ml, 13.3 mmol) was added slowly in three portions at 20°C, 6 hours apart, and the reaction was carried out for 5 minutes after addition. The reaction temperature was then maintained at 60°C with continuous stirring for 24 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. The resulting solid was washed with hot deionized water, filtered and dried to afford 5-bromo-2-furoic acid (3.46 g, 18.1 mmol) in 86% yield. | [References]
[1] Patent: CN106977476, 2017, A. Location in patent: Paragraph 0073-0093
[2] Journal of Materials Chemistry A, 2014, vol. 2, # 18, p. 6589 - 6597
[3] Journal of Pharmaceutical Sciences, 1981, vol. 70, # 10, p. 1095 - 1100
[4] Heterocycles, 1994, vol. 38, # 4, p. 759 - 768
[5] Justus Liebigs Annalen der Chemie, 1953, vol. 580, p. 169,187 |
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