Ethyl 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylate

HCID 4092364

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Basic information

CAS: 187998-66-9
Standard SMILES: CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C
InChIKey: APRSCISRACOKII-UHFFFAOYSA-N
Molecular formula: C14H16N2O3
Average molar mass: 260.29 g/mol

Names & identifiers

Preferred name: Ethyl 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylate
IUPAC: ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate
English name: ETHYL 1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
Molecular formula: C14H16N2O3
Molecular weight: 260.29

Names & synonyms

187998-66-9Ethyl 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylateRefChem:593252651-408-6ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylateSCHEMBL6180207Ethyl 1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylateAPRSCISRACOKII-UHFFFAOYSA-NAKOS006187373DA-34731F493972Ethyl1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylate

Show more names

BUTTPARK 154\50-88RARECHEM AL BI 1355SALOR-INT L317616-1EA1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-, ethyl ester

Database identifiers

CAS: 187998-66-9
PubChem CID: 4092364
EC Number: 651-408-6

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 303

Physicochemical properties

Melting point: 63 · 63-65 °C
Boiling point: 374 · 374.0±32.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
pka: -1.27 · -1.27±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362