Basic information
- CAS
263553-80-6- Standard SMILES
CCOC(=O)Cn1nc(C)c(C=O)c1Cl- InChIKey
NNCHLZCPHSGERF-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O3
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.04581989
Names & identifiers
- Preferred name
- ethyl 2-(5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetate
- IUPAC
- ethyl 2-(5-chloro-4-formyl-3-methylpyrazol-1-yl)acetate
- English name
- Ethyl 2-(5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetate
- Molecular formula
- C9H11ClN2O3
- Molecular weight
- 230.65
Names & synonyms
ethyl 2-(5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetate263553-80-6ethyl 2-(5-chloro-4-formyl-3-methylpyrazol-1-yl)acetateMFCD01837169ethyl 2-(5-chloro-4-formyl-3-methyl-1H-pyrazol -1-yl) acetateethyl (5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetateNNCHLZCPHSGERF-UHFFFAOYSA-NSCHEMBL11921143DTXSID60353302SBB097658AKOS005070828DB-264901
Show more names
SPECS AN-742/372790441H-Pyrazole-1-acetic acid, 5-chloro-4-formyl-3-methyl-, ethyl ester
CS-0094873D756556T-0061AN-742/37279044ethyl 2-(5-chloro-4-formyl-3-methylpyrazolyl)acetateethyl 2-(5-chloro-4-formyl-3-methyl-pyrazol-1-yl)acetateEthyl(5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetateethyl2-(5-chloro-4-formyl-3-methyl-1H-pyrazol-1-yl)acetate
Database identifiers
- CAS
263553-80-6- PubChem CID
- 737985
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 66 · 66-68°C
- Boiling point
- 345.1 · 345.1±42.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -1.2 · -1.20±0.10(Predicted)
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
2 records
Compound notes
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