2-Iodo-5-(trifluoromethyl)aniline - CAS 105202-02-6
Catalog: |
BB001575 |
Product Name: |
2-Iodo-5-(trifluoromethyl)aniline |
CAS: |
105202-02-6 |
Synonyms: |
2-iodo-5-(trifluoromethyl)aniline; 2-iodo-5-(trifluoromethyl)aniline |
IUPAC Name: | 2-iodo-5-(trifluoromethyl)aniline |
Description: | 2-Iodo-5-(trifluoromethyl)aniline (CAS# 105202-02-6) is a useful intermediate for the preparation of trifluoromethylindoles by coupling-annulation of alkynes with iodo(trifluoromethyl)anilines. |
Molecular Weight: | 287.02 |
Molecular Formula: | C7H5F3IN |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)N)I |
InChI: | InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2 |
InChI Key: | KJTQOUZTJKNWGK-UHFFFAOYSA-N |
Boiling Point: | 102-114 ℃ |
Density: | 1.353 g/cm3 |
LogP: | 3.47340 |
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 |
WO-2019157417-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
AU-2019218256-A1 | Heterocyclic P2Y14 receptor antagonists | 20180209 |
CN-111868036-A | Heterocyclic ring P2Y14Receptor antagonists | 20180209 |
EP-3749651-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
US-2021047293-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.94188 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.94188 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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