5-(2,5-Dichlorophenyl)furfural - CAS 99113-89-0
Catalog: |
BB042258 |
Product Name: |
5-(2,5-Dichlorophenyl)furfural |
CAS: |
99113-89-0 |
Synonyms: |
5-(2,5-dichlorophenyl)furan-2-carbaldehyde |
IUPAC Name: | 5-(2,5-dichlorophenyl)furan-2-carbaldehyde |
Description: | 5-(2,5-Dichlorophenyl)furfural (CAS# 99113-89-0) is a useful research chemical. |
Molecular Weight: | 241.07 |
Molecular Formula: | C11H6Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=O)Cl |
InChI: | InChI=1S/C11H6Cl2O2/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-14)15-11/h1-6H |
InChI Key: | RKZWOCAAXGBQBN-UHFFFAOYSA-N |
Boiling Point: | 361 °C at 760 mmHg |
Density: | 1.392 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00454841 |
LogP: | 4.06590 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2516254-A1 | Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | 20030217 |
US-2006264493-A1 | Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | 20030217 |
CA-2511646-A1 | Thiosemicarbazones as anti-virals and immunopotentiators | 20021227 |
US-2005069555-A1 | Thiosemicarbazones as anti-virals and immunopotentiators | 20021227 |
US-2009285849-A1 | Thiosemicarbazones as anti-virals and immunopotentiators | 20021227 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9744848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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