3,5-Bis(trifluoromethyl)benzamide - CAS 22227-26-5
Catalog: |
BB017455 |
Product Name: |
3,5-Bis(trifluoromethyl)benzamide |
CAS: |
22227-26-5 |
Synonyms: |
3,5-bis(trifluoromethyl)benzamide |
IUPAC Name: | 3,5-bis(trifluoromethyl)benzamide |
Description: | 3,5-Bis(trifluoromethyl)benzamide (CAS# 22227-26-5) is a useful research chemical. |
Molecular Weight: | 257.13 |
Molecular Formula: | C9H5F6NO |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N |
InChI: | InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17) |
InChI Key: | YNOPIKHMZIOWHS-UHFFFAOYSA-N |
Boiling Point: | 193.3 °C at 760 mmHg |
Density: | 1.468 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00015511 |
LogP: | 3.52340 |
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 |
WO-2021202714-A1 | Sterically hindered phosphine-amide supported nickel(ii) or palladium(ii) catalysts for the copolymerization of ethylene and polar comonomers | 20200331 |
WO-2021104199-A1 | Aminoxy acid-based anti-cancer stem cell compounds and methods thereof | 20191125 |
WO-2021068179-A1 | Novel heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
WO-2021069575-A1 | Heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
CN-112955442-A | Pesticidally active azole-amide compounds | 20181105 |
PMID | Publication Date | Title | Journal |
17169559 | 20070215 | Design and synthesis of 3,5-disubstituted benzamide analogues of DNK333 as dual NK1/NK2 receptor probes | Bioorganic & medicinal chemistry letters |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.02753276 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.02753276 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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