Basic information
- CAS
192701-91-0- Standard SMILES
COC(=O)c1cc(-c2ccc(F)cc2)n[nH]1- InChIKey
SJAHLWMIVWUWKH-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O2
- Average molar mass
- 220.2 g/mol
- Monoisotopic mass
- 220.0648057
Names & identifiers
- Preferred name
- Methyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
- English name
- methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
- Molecular formula
- C11H9FN2O2
- Molecular weight
- 220.2
Names & synonyms
192701-91-0methyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylateRefChem:355917methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate5-(4-Fluoro-phenyl)-1H-pyrazole-3-carboxylic acid methyl esterMFCD12196086methyl 5-(4-fluorophenyl)pyrazole-3-carboxylateSCHEMBL2524441SCHEMBL8366709DTXSID901223103MFCD03778980SBB009488
Show more names
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylat1H-Pyrazole-3-carboxylic acid, 5-(4-fluorophenyl)-, methyl ester
STK312190AKOS000112478AKOS000309898SB75116ST064996SY073883DB-431395EN300-229519
Database identifiers
- CAS
192701-91-0- PubChem CID
- 718672
- DTXSID
DTXSID901223103
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 417.7 · 417.7±35.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers5 total
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
南京百安迈生物医药科技有限公司18066080842 13952020641 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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