Basic information
- CAS
477710-51-3- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C- InChIKey
HEQOTPGEGGVTLH-UHFFFAOYSA-N- Molecular formula
- C14H14Cl2N2O2
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 312.04323305
Names & identifiers
- Preferred name
- ethyl 1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxylate
- English name
- ETHYL 1-(3,4-DICHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
- Molecular formula
- C14H14Cl2N2O2
- Molecular weight
- 313.18
Names & synonyms
477710-51-3ethyl 1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylateethyl 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxylateMFCD02083022ethyl 1-(3,4-dichlorophenyl)-3,5-dimethyl -1H-pyrazole-4-carboxylateSCHEMBL2199198DTXSID10363436HEQOTPGEGGVTLH-UHFFFAOYSA-NAKOS005069782DB-1143481R-0667ethyl 1-(3,4-dichlorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate
Show more names
1H-Pyrazole-4-carboxylic acid, 1-(3,4-dichlorophenyl)-3,5-dimethyl-, ethyl ester
ethyl1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate1-(3,4-Dichloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- CAS
477710-51-3- PubChem CID
- 1491356
- DTXSID
DTXSID10363436
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 81 · 81-84°
- Boiling point
- 402.8 · 402.8±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.12(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
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
1 records
Compound notes
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