Ethyl 5-bromo-1,4-dimethyl-1H-pyrazole-3-carboxylate
Basic information
- CAS
1707370-05-5- Standard SMILES
CCOC(=O)c1nn(C)c(Br)c1C- InChIKey
OTSIJBIZPZMFMC-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2O2
- Average molar mass
- 247.09 g/mol
- Monoisotopic mass
- 246.00039
Names & identifiers
- Preferred name
- Ethyl 5-bromo-1,4-dimethyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-bromo-1,4-dimethylpyrazole-3-carboxylate
- English name
- Ethyl 5-bromo-1,4-dimethyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C8H11BrN2O2
- Molecular weight
- 247.09
Names & synonyms
Ethyl 5-bromo-1,4-dimethyl-1H-pyrazole-3-carboxylate1707370-05-5MFCD26381813ETHYL 5-BROMO-1,4-DIMETHYLPYRAZOLE-3-CARBOXYLATEEthyl5-bromo-1,4-dimethyl-1H-pyrazole-3-carboxylateHTC37005AKOS027457009BS-51304CS-0151668E76822EN300-747100F689609
Show more names
5-Bromo-1,4-dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester1H-Pyrazole-3-carboxylic acid, 5-bromo-1,4-dimethyl-, ethyl ester
ethyl 5-bromo-1,4-dimethyl-pyrazole-3-carboxylate
Database identifiers
- CAS
1707370-05-5- PubChem CID
- 97617239
- EC Number
- 196-893-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 300.9 · 300.9±37.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.72 · -0.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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