3-(2-Methoxyphenyl)-1H-pyrazole-4-carboxaldehyde
Basic information
- CAS
26033-21-6- Standard SMILES
COc1ccccc1-c1[nH]ncc1C=O- InChIKey
SOQVRLREJSNDQA-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 3-(2-Methoxyphenyl)-1H-pyrazole-4-carboxaldehyde
- IUPAC
- 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
- English name
- 3-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
26033-21-63-(2-Methoxyphenyl)-1H-pyrazole-4-carboxaldehydeRefChem:2737753-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehydeMFCD020564203-(2-Methoxylphenyl)-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 3-(2-methoxyphenyl)-DTXSID301236962ALBB-006704AKOS000265437LS-02385
Show more names
3-(2-methoxyphenyl)-2H-pyrazole-4-carbaldehyde3-(2-Methoxy-phenyl)-1H-pyrazol-4-carbaldehyde3-(2-methoxyphenyl)-2H-pyrazole-4-carboxaldehyde
CS-0374042G42251EN300-7364667SR-01000103765SR-01000103765-1Z362114620
Database identifiers
- CAS
26033-21-6- PubChem CID
- 4067971
- DTXSID
DTXSID301236962
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 153 · 153-154 °C(Solv: water (7732-18-5))
- Boiling point
- 403.2 · 403.2±35.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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