4-Bromo-2-nitro-6-(trifluoromethyl)aniline - CAS 157026-18-1
Catalog: |
BB011285 |
Product Name: |
4-Bromo-2-nitro-6-(trifluoromethyl)aniline |
CAS: |
157026-18-1 |
Synonyms: |
4-bromo-2-nitro-6-(trifluoromethyl)aniline; 4-bromo-2-nitro-6-(trifluoromethyl)aniline |
IUPAC Name: | 4-bromo-2-nitro-6-(trifluoromethyl)aniline |
Description: | 4-Bromo-2-nitro-6-(trifluoromethyl)aniline (CAS# 157026-18-1) is a reagent for the preparation of 3-(5-arylbenzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]decenes, a transient receptor potential melastatin 8 (TRPM8) antagonist for the treatment of painful conditions related to cold. |
Molecular Weight: | 285.02 |
Molecular Formula: | C7H4BrF3N2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)Br |
InChI: | InChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2 |
InChI Key: | JWIAFKYOENFPNQ-UHFFFAOYSA-N |
Boiling Point: | 273.5 °C at 760 mmHg |
Density: | 1.859 g/cm3 |
MDL: | MFCD09835318 |
LogP: | 4.06270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020140393-A1 | Bacterial efflux pump inhibitors | 20170310 |
WO-2018165612-A1 | Bacterial efflux pump inhibitors | 20170310 |
US-2017369470-A1 | Cyclic Compounds and Uses Thereof | 20141216 |
WO-2016100515-A1 | Cyclic compounds and uses thereof | 20141216 |
US-2012202856-A1 | Substituted benzimdazole derivatives useful as trpm8 receptor modulators | 20110207 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.94082 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.94082 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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