2-Fluoro-5-(trifluoromethyl)aniline - CAS 535-52-4
Catalog: |
BB028263 |
Product Name: |
2-Fluoro-5-(trifluoromethyl)aniline |
CAS: |
535-52-4 |
Synonyms: |
2-fluoro-5-(trifluoromethyl)aniline |
IUPAC Name: | 2-fluoro-5-(trifluoromethyl)aniline |
Description: | 2-Fluoro-5-(trifluoromethyl)aniline has been used as a reactant for the synthesis of 5,6,7-trimethoxy-N-phenyl(ethyl)-4-aminoquinazoline derivatives with anticancer activities. |
Molecular Weight: | 179.11 |
Molecular Formula: | C7H5F4N |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)N)F |
InChI: | InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2 |
InChI Key: | DRKWGMXFFCPZLW-UHFFFAOYSA-N |
Boiling Point: | 210 ℃ |
Purity: | 98 % |
Density: | 1.378 g/cm3 |
Appearance: | Clear yellow to orange liquid |
MDL: | MFCD00007653 |
LogP: | 3.00790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111807977-A | 9-aniline fluorene-9-carboxylic ester compound and preparation method thereof | 20200813 |
CN-111718262-A | Simple preparation method of 9-hydroxyfluorene-9-carboxylic ester compound | 20200709 |
CN-111718262-B | Simple preparation method of 9-hydroxyfluorene-9-carboxylic ester compound | 20200709 |
CN-111620824-A | Method for synthesizing quinazoline compound by taking aromatic aldehyde as substrate | 20200624 |
WO-2021144439-A1 | Quinoxaline derivatives | 20200117 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.03581181 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.03581181 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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