4-(Trifluoromethyl)aniline - CAS 455-14-1
Catalog: |
BB025904 |
Product Name: |
4-(Trifluoromethyl)aniline |
CAS: |
455-14-1 |
Synonyms: |
4-(trifluoromethyl)aniline |
IUPAC Name: | 4-(trifluoromethyl)aniline |
Description: | 4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis. |
Molecular Weight: | 161.12 |
Molecular Formula: | C7H6F3N |
Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)N |
InChI: | InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
InChI Key: | ODGIMMLDVSWADK-UHFFFAOYSA-N |
Boiling Point: | 83 ℃ (12 mmHg) |
Purity: | 98 % |
Density: | 1.296 g/cm3 |
Appearance: | Light orange oil |
MDL: | MFCD00064396 |
LogP: | 2.86880 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (10.71%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (89.29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (10.71%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H372 (10.71%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H400 (94.64%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (96.43%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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CN-113501764-A | Asymmetric synthesis method of multi-functional cyclopentenone derivative containing trifluoromethyl | 20210707 |
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PMID | Publication Date | Title | Journal |
22968676 | 20121107 | Synthesis of cyclic polylactide catalysed by bis(salicylaldiminato)tin(II) complexes | Dalton transactions (Cambridge, England : 2003) |
21575625 | 20110801 | Characterization of 2-(2,6-dichloro-benzyl)-thiazolo[5,4-d]pyrimidin-7-yl]-(4-trifluoromethyl-phenyl)-amine (JNJ-39729209) as a novel TRPV1 antagonist | European journal of pharmacology |
21582394 | 20090328 | N-(2-Ferrocenylethyl-idene)-4-(trifluoro-meth-yl)aniline | Acta crystallographica. Section E, Structure reports online |
18591806 | 20080701 | Synthesis and cytotoxicity studies of novel [1,2,4]triazolo[1,5-a]pyrimidine-7-amines | Chemical & pharmaceutical bulletin |
17225597 | 20061101 | Spectrophotometric stability-indicating methods for the determination of leflunomide in the presence of its degradates | Journal of AOAC International |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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