1-(4-methoxyphenyl)-1H-pyrazol-4-ol
Basic information
- CAS
77458-36-7- Standard SMILES
COc1ccc(-n2cc(O)cn2)cc1- InChIKey
WUVRRXUFBQLQTK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-1H-pyrazol-4-ol
- IUPAC
- 1-(4-methoxyphenyl)pyrazol-4-ol
- English name
- 1-(4-methoxyphenyl)-1H-pyrazol-4-ol
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
1-(4-methoxyphenyl)-1H-pyrazol-4-ol77458-36-7RefChem:425746829-252-71-(4-methoxyphenyl)pyrazol-4-olSCHEMBL23400601CDA45836MFCD28976513AT12013EN300-6477209Z23113142631H-Pyrazol-4-ol, 1-(4-methoxyphenyl)-
Show more names
JR-14127, 1-(4-Methoxyphenyl)-1H-pyrazol-4-ol, 97%
Database identifiers
- CAS
77458-36-7- PubChem CID
- 12901081
- EC Number
- 829-252-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 346.7 · 346.7±22.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.14(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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