4-(Trifluoromethyl)benzamide - CAS 1891-90-3
Catalog: |
BB014600 |
Product Name: |
4-(Trifluoromethyl)benzamide |
CAS: |
1891-90-3 |
Synonyms: |
4-(trifluoromethyl)benzamide; 4-(trifluoromethyl)benzamide |
IUPAC Name: | 4-(trifluoromethyl)benzamide |
Description: | 4-(Trifluoromethyl)benzamide (CAS# 1891-90-3) is a useful research chemical. |
Molecular Weight: | 189.13 |
Molecular Formula: | C8H6F3NO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)N)C(F)(F)F |
InChI: | InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13) |
InChI Key: | WEJHBEDHLLBJFW-UHFFFAOYSA-N |
Boiling Point: | 254.2 °C at 760 mmHg |
Density: | 1.335 g/cm3 |
Appearance: | White to off-white powder |
MDL: | MFCD00007998 |
LogP: | 2.50460 |
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-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
WO-2020198053-A1 | 2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases | 20190322 |
WO-2019228604-A1 | Photochromic indeno-fused naphthopyran compounds with reduced temperature dependence | 20180528 |
EP-3704111-A1 | Heterocyclic mitochondrial activity inhibitors and uses thereof | 20171103 |
EP-3612180-A1 | Substituted 2-acylamino-cycloalkylthiophene-3-carboxylic acid arylamides as inhibitors of calcium-activated chloride channel tmem16a | 20170417 |
PMID | Publication Date | Title | Journal |
16755623 | 20060701 | 19F NMR chemical shifts induced by a helical peptide | Chembiochem : a European journal of chemical biology |
16384551 | 20060227 | N-(4-Trifluoromethylphenyl)amide group of the synthetic histamine receptor agonist inhibits nicotinic acetylcholine receptor-mediated catecholamine secretion | Biochemical pharmacology |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.04014830 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.04014830 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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