Basic information
- CAS
1239743-27-1- Standard SMILES
CCOC(=O)c1nn(C)c(OC)c1C- InChIKey
NLAYNQZOCODFEP-UHFFFAOYSA-N- Molecular formula
- C9H14N2O3
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.10044231
Names & identifiers
- Preferred name
- ethyl 5-methoxy-1,4-dimethyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-methoxy-1,4-dimethylpyrazole-3-carboxylate
- English name
- 5-Methoxy-1,4-dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester
- Molecular formula
- C9H14N2O3
- Molecular weight
- 198.22
Names & synonyms
Ethyl 5-methoxy-1,4-dimethyl-1H-pyrazole-3-carboxylate1239743-27-1RefChem:595803982-364-9ethyl 5-methoxy-1,4-dimethylpyrazole-3-carboxylatePZB74327CS-0246830EN300-344598Ethyl5-methoxy-1,4-dimethyl-1H-pyrazole-3-carboxylate5-Methoxy-1,4-dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester1H-Pyrazole-3-carboxylic acid, 5-methoxy-1,4-dimethyl-, ethyl ester
Database identifiers
- CAS
1239743-27-1- PubChem CID
- 102533859
- EC Number
- 982-364-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 291.2 · 291.2±35.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 1.12 · 1.12±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.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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