4-Chloro-3-(trifluoromethyl)aniline - CAS 320-51-4
Catalog: |
BB021144 |
Product Name: |
4-Chloro-3-(trifluoromethyl)aniline |
CAS: |
320-51-4 |
Synonyms: |
4-chloro-3-(trifluoromethyl)aniline |
IUPAC Name: | 4-chloro-3-(trifluoromethyl)aniline |
Description: | An impurity of Sorafenib. Sorafenib is a small inhibitor of several tyrosine protein kinases, such as VEGFR, PDGFR and Raf family kinases, for the treatment of primary kidney cancer, advanced primary liver cancer and radioactive iodine resistant advanced thyroid carcinoma. |
Molecular Weight: | 195.57 |
Molecular Formula: | C7H5ClF3N |
Canonical SMILES: | C1=CC(=C(C=C1N)C(F)(F)F)Cl |
InChI: | InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 |
InChI Key: | ASPDJZINBYYZRU-UHFFFAOYSA-N |
Boiling Point: | 242.8 ℃ at 760 mmHg |
Melting Point: | 37-39 ℃ |
Purity: | 97 % |
Density: | 1.425 g/cm3 |
Appearance: | Off-white to pale pink low melting solid |
MDL: | MFCD00007846 |
LogP: | 3.52220 |
GHS Hazard Statement: | H302 (77.59%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (10.34%): 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 (10.34%): 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 |
CN-113429461-A | Aggregation-induced emission polypeptide micelle type diagnostic reagent and application thereof in near-infrared region biological imaging | 20210625 |
CN-112939796-A | Synthetic method of 2,2 '-bis (trifluoromethyl) -4,4' -diaminobiphenyl | 20210123 |
CN-111995594-A | Continuous nitration method of 1, 2-diazoxynaphthalene-4-sulfonic acid and product | 20200927 |
CN-111718294-A | Crystal form of medicine for treating intestinal cancer | 20200824 |
CN-111777540-A | Method for synthesizing pyrrolidone compound by continuous light-induced catalysis | 20200723 |
PMID | Publication Date | Title | Journal |
21143483 | 20110301 | Multiphoton imaging of actin filament formation and mitochondrial energetics of human ACBT gliomas | Photochemistry and photobiology |
21582197 | 20090218 | Phenyl N-[4-chloro-3-(trifluoro-meth-yl)phen-yl]carbamate | Acta crystallographica. Section E, Structure reports online |
18777009 | 20090101 | Motexafin gadolinium enhances the efficacy of aminolevulinic acid mediated-photodynamic therapy in human glioma spheroids | Journal of neuro-oncology |
17163479 | 20061201 | Effects of ALA-mediated photodynamic therapy on the invasiveness of human glioma cells | Lasers in surgery and medicine |
8841454 | 19960927 | Production of murine monoclonal antibodies against sulcofuron and flucofuron by in vitro immunisation | Journal of immunological methods |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0062613 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0062613 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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