2,2,2-Trifluoroacetanilide - CAS 404-24-0
Catalog: |
BB024496 |
Product Name: |
2,2,2-Trifluoroacetanilide |
CAS: |
404-24-0 |
Synonyms: |
2,2,2-trifluoro-N-phenylacetamide; 2,2,2-trifluoro-N-phenylacetamide |
IUPAC Name: | 2,2,2-trifluoro-N-phenylacetamide |
Description: | 2,2,2-Trifluoroacetanilide (CAS# 404-24-0) is a useful research chemical. |
Molecular Weight: | 189.13 |
Molecular Formula: | C8H6F3NO |
Canonical SMILES: | C1=CC=C(C=C1)NC(=O)C(F)(F)F |
InChI: | InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13) |
InChI Key: | SAPQIENQEZURNZ-UHFFFAOYSA-N |
Boiling Point: | 243.5 °C at 760 mmHg |
Density: | 1.361 g/cm3 |
MDL: | MFCD00196027 |
LogP: | 2.26040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
US-2020405840-A1 | Chemical Synthesis of Oligosaccharides of Pseudomonas aeruginosa Serotype O11 O-antigen | 20181218 |
CN-109369506-A | A kind of method of selective N-methylation second level amide | 20181212 |
CN-108516957-A | A kind of preparation method of amides compound | 20180503 |
WO-2019188835-A1 | Polymetalloxane, composition, cured film, member, electronic component, fiber, binder for ceramic molding, cured film production method, and fiber production method | 20180329 |
PMID | Publication Date | Title | Journal |
22932951 | 20121028 | Tuning the leaving group in 2-deoxy-2-fluoroglucoside results in improved activity-based retaining β-glucosidase probes | Chemical communications (Cambridge, England) |
22838405 | 20120907 | Studies on the selectivity between nickel-catalyzed 1,2-cis-2-amino glycosylation of hydroxyl groups of thioglycoside acceptors with C2-substituted benzylidene N-phenyl trifluoroacetimidates and intermolecular aglycon transfer of the sulfide group | The Journal of organic chemistry |
22095469 | 20111216 | Chemical synthesis of Helicobacter pylori lipopolysaccharide partial structures and their selective proinflammatory responses | Chemistry (Weinheim an der Bergstrasse, Germany) |
21879137 | 20111021 | Reinvestigation of the C5-acetamide sialic acid donor for α-selective sialylation: practical procedure under microfluidic conditions | Organic & biomolecular chemistry |
19156655 | 20090406 | Synthesis of a sialic acid containing complex-type N-glycan on a solid support | Chemistry, an Asian journal |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0401483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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