5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural - CAS 259196-40-2
Catalog: |
BB019072 |
Product Name: |
5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural |
CAS: |
259196-40-2 |
Synonyms: |
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde |
IUPAC Name: | 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde |
Description: | 5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural (CAS# 259196-40-2) is a useful research chemical. |
Molecular Weight: | 274.62 |
Molecular Formula: | C12H6ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(O2)C=O)Cl |
InChI: | InChI=1S/C12H6ClF3O2/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-6H |
InChI Key: | BDUFOVWZBTVLPY-UHFFFAOYSA-N |
Boiling Point: | 336.5 °C at 760 mmHg |
Melting Point: | 59-63 °C (lit.) |
Purity: | 95 % |
Density: | 1.41 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00274242 |
LogP: | 4.43130 |
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 |
KR-20050073110-A | Liver x receptor agonists | 20040108 |
EP-1697335-A1 | Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them | 20031227 |
WO-2005063727-A1 | Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them | 20031227 |
US-2005069555-A1 | Thiosemicarbazones as anti-virals and immunopotentiators | 20021227 |
AU-2003291613-A1 | Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers | 20020430 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.0008416 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.0008416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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