3-(1,1,2,2-Tetrafluoroethoxy)aniline - CAS 831-75-4
Catalog: |
BB036981 |
Product Name: |
3-(1,1,2,2-Tetrafluoroethoxy)aniline |
CAS: |
831-75-4 |
Synonyms: |
3-(1,1,2,2-tetrafluoroethoxy)aniline |
IUPAC Name: | 3-(1,1,2,2-tetrafluoroethoxy)aniline |
Description: | 3-(1,1,2,2-Tetrafluoroethoxy)aniline (CAS# 831-75-4) is a useful research chemical compound. |
Molecular Weight: | 209.14 |
Molecular Formula: | C8H7F4NO |
Canonical SMILES: | C1=CC(=CC(=C1)OC(C(F)F)(F)F)N |
InChI: | InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7H,13H2 |
InChI Key: | MWDPEBMCVXNSPL-UHFFFAOYSA-N |
Boiling Point: | 100 °C / 7 mmHg (lit.), 236 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.358 g/cm3 |
MDL: | MFCD00042457 |
LogP: | 3.08670 |
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 |
US-2021267947-A1 | Triazole benzamide derivatives as gpr142 agonists | 20180704 |
EP-3204360-B1 | Therapeutic compounds and uses thereof | 20141010 |
EP-2940000-A1 | Process for preparing methyl acetate | 20121225 |
EP-2940000-B1 | Process for preparing methyl acetate | 20121225 |
US-2015298108-A1 | Method for preparing methyl acetate | 20121225 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.04637650 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.04637650 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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