2-Nitro-4-(trifluoromethoxy)aniline - CAS 2267-23-4
Catalog: |
BB017703 |
Product Name: |
2-Nitro-4-(trifluoromethoxy)aniline |
CAS: |
2267-23-4 |
Synonyms: |
2-nitro-4-(trifluoromethoxy)aniline; 2-nitro-4-(trifluoromethoxy)aniline |
IUPAC Name: | 2-nitro-4-(trifluoromethoxy)aniline |
Description: | 2-Nitro-4-(trifluoromethoxy)aniline (CAS# 2267-23-4) is a useful research chemical. |
Molecular Weight: | 222.12 |
Molecular Formula: | C7H5F3N2O3 |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 |
InChI Key: | YCGFVAPIBALHRT-UHFFFAOYSA-N |
Boiling Point: | 284.3 ℃ at 760 mmHg |
Density: | 1.543 g/cm3 |
MDL: | MFCD00042326 |
LogP: | 3.18000 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021185291-A1 | Proteolysis regulator and method for using same | 20200317 |
CN-112778308-A | Fused tricyclic derivatives as FGFR4 inhibitors | 20191109 |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02522651 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Amines and Anilines
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