Basic information
- CAS
26502-56-7- Standard SMILES
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1O- InChIKey
JVDIBUHUFFFVFX-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- Ethyl 1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylate
- English name
- Ethyl 1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
- Molecular formula
- C12H11ClN2O3
- Molecular weight
- 266.68
Names & synonyms
26502-56-7ETHYL 1-(4-CHLOROPHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLATEDTXSID60352618RefChem:341976DTXCID403036831-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl esterethyl 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylateOprea1_347565MLS000759828IFLab1_005205CHEMBL1403604HMS1426M13
Show more names
IFLAB-BB F1174-1793ethyl 1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-4-hydroxy-, ethyl ester
HMS2752L13BBA50256AKOS002349122AB90894SMR000369946EU-0043113EN300-236212AF-399/15392069
Database identifiers
- CAS
26502-56-7- PubChem CID
- 730286
- DTXSID
DTXSID60352618- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility34.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 380 · 380.0±32.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 8.7 · 8.70±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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 statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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