4-(Bromomethyl)furan-2(5H)-one - CAS 61934-55-2
Catalog: |
BB031338 |
Product Name: |
4-(Bromomethyl)furan-2(5H)-one |
CAS: |
61934-55-2 |
Synonyms: |
3-(bromomethyl)-2H-furan-5-one; 3-(bromomethyl)-2H-furan-5-one |
IUPAC Name: | 3-(bromomethyl)-2H-furan-5-one |
Description: | 4-(Bromomethyl)furan-2(5H)-one (CAS# 61934-55-2) is a useful research chemical. |
Molecular Weight: | 177.00 |
Molecular Formula: | C5H5BrO2 |
Canonical SMILES: | C1C(=CC(=O)O1)CBr |
InChI: | InChI=1S/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2 |
InChI Key: | UGKKGXRKDWIWOD-UHFFFAOYSA-N |
Boiling Point: | 287 °C at 760 mmHg |
Density: | 1.738 g/cm3 |
LogP: | 0.86450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2017011418-A1 | ORGANIC REACTION UTILIZING AN α,β-UNSATURATED COMPOUND | 20150710 |
AU-2016252892-A1 | Compounds for treating pruritic conditions | 20150423 |
AU-2016252892-B2 | Compounds for treating pruritic conditions | 20150423 |
EP-3286198-A1 | Compounds for treating pruritic conditions | 20150423 |
JP-2018513174-A | Compounds for the treatment of pruritus | 20150423 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.94729 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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