5-Methoxy-2-(4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-YL)phenol
Basic information
- CAS
385401-32-1- Standard SMILES
COc1ccc(-c2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1- InChIKey
XHDYQCVCIIVRJV-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- 5-Methoxy-2-(4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-YL)phenol
- IUPAC
- 5-methoxy-2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
- English name
- SALOR-INT L248606-1EA
- Molecular formula
- C18H18N2O3
- Molecular weight
- 310.35
Names & synonyms
385401-32-15-methoxy-2-(4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl)phenol5-methoxy-2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenolRefChem:536631650-695-5Oprea1_280341Oprea1_767012STK848400AKOS001631748AKOS005628237AT54916ST50475599
Show more names
SALOR-INT L248606-1EAPhenol, 5-methoxy-2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-
SR-01000443989SR-01000443989-1F0758-00625-methoxy-2-[4-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Database identifiers
- CAS
385401-32-1- PubChem CID
- 797629
- EC Number
- 650-695-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 479.7 · 479.7±45.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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