5-Ethoxy-2-(4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl)phenol
Basic information
- CAS
370853-17-1- Standard SMILES
CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1- InChIKey
QMLHLGNSIVKBDE-UHFFFAOYSA-N- Molecular formula
- C18H17FN2O3
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.12232057
Names & identifiers
- Preferred name
- 5-Ethoxy-2-(4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl)phenol
- IUPAC
- 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
- English name
- 5-ethoxy-2-(4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl)phenol
- Molecular formula
- C18H17FN2O3
- Molecular weight
- 328.34
Names & synonyms
370853-17-15-Ethoxy-2-(4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl)phenol5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenolCambridge id 6945876Oprea1_704059Oprea1_708732SCHEMBL14427568STK8573895-ETHOXY-2-(4-(4-FLUORO-PHENOXY)-5-METHYL-1H-PYRAZOL-3-YL)-PHENOLAKOS000539869AKOS005632168CCG-112867
Show more names
Phenol, 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-
ST50191129SR-01000477149SR-01000477149-15-ethoxy-2-[4-(4-fluorophenoxy)-5-methylpyrazol-3-yl]phenol5-ethoxy-2-[4-(4-fluorophenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Database identifiers
- CAS
370853-17-1- PubChem CID
- 730746
- EC Number
- 118-625-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 491.7 · 491.7±45.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.35(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…