3'-(Trifluoromethyl)-1,1'-biphenyl-2-carboxaldehyde - CAS 223575-93-7
Catalog: |
BB017556 |
Product Name: |
3'-(Trifluoromethyl)-1,1'-biphenyl-2-carboxaldehyde |
CAS: |
223575-93-7 |
Synonyms: |
2-[3-(trifluoromethyl)phenyl]benzaldehyde |
IUPAC Name: | 2-[3-(trifluoromethyl)phenyl]benzaldehyde |
Description: | 3'-(Trifluoromethyl)-1,1'-biphenyl-2-carboxaldehyde (CAS# 223575-93-7) is a useful research chemical. |
Molecular Weight: | 250.22 |
Molecular Formula: | C14H9F3O |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)C2=CC(=CC=C2)C(F)(F)F |
InChI: | InChI=1S/C14H9F3O/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-9H |
InChI Key: | STRFWILZQHGWOK-UHFFFAOYSA-N |
Boiling Point: | 339 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.251 g/cm3 |
LogP: | 4.18490 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016135778-A | Pharmaceutical use of cyanotriazole compounds | 20150116 |
JP-6853619-B2 | Pharmaceutical use of cyanotriazole compounds | 20150116 |
JP-2016525069-A | Cyanotriazole compounds | 20130717 |
JP-6503336-B2 | Cyanotriazole compound | 20130717 |
EP-2496544-A1 | Gpbp inhibition using q2 peptidomimetics | 20091105 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.06054939 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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