5-Bromo-2-furoic Acid - CAS 585-70-6
Catalog: |
BB030085 |
Product Name: |
5-Bromo-2-furoic Acid |
CAS: |
585-70-6 |
Synonyms: |
5-bromo-2-furancarboxylic acid; 5-bromofuran-2-carboxylic acid |
IUPAC Name: | 5-bromofuran-2-carboxylic acid |
Description: | 5-Bromo-2-furoic Acid (CAS# 585-70-6) is a useful research chemical. |
Molecular Weight: | 190.98 |
Molecular Formula: | C5H3BrO3 |
Canonical SMILES: | C1=C(OC(=C1)Br)C(=O)O |
InChI: | InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) |
InChI Key: | YVTQHZDUDUCGRD-UHFFFAOYSA-N |
Boiling Point: | 281.6 °C at 760 mmHg |
Density: | 1.891 g/cm3 |
Appearance: | White to cream flakes |
MDL: | MFCD00003239 |
LogP: | 1.74030 |
GHS Hazard Statement: | H315 (11.11%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016229825-A1 | Synthetic process for preparing 2-furoic acid derivatives | 20150205 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
WO-2015164411-A2 | Small molecule inhibitors of g protein coupled receptor 6 kinases polypeptides | 20140421 |
WO-2015159103-A1 | Piperazine derivatives for treating disorders | 20140417 |
WO-2015104684-A1 | Hydroxy formamide derivatives and their use | 20140110 |
PMID | Publication Date | Title | Journal |
18163595 | 20080301 | Ionic immobilization, diversification, and release: application to the generation of a library of methionine aminopeptidase inhibitors | Journal of combinatorial chemistry |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.92656 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.92656 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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