Basic information
- CAS
512809-16-4- Standard SMILES
CCOC(=O)c1cc(C(=O)O)nn1C- InChIKey
JLSQQJCFVRBJAS-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Names & identifiers
- Preferred name
- 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
- IUPAC
- 5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid
- English name
- 1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)
- Molecular formula
- C8H10N2O4
- Molecular weight
- 198.18
Names & synonyms
5-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid512809-16-4DTXSID6012502345-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylateRefChem:535446DTXCID501681040859-703-3MFCD034193361-Methyl-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid5-(ethoxycarbonyl)-1-methylpyrazole-3-carboxylic acidSCHEMBL4759497
Show more names
1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 5-ethyl ester1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)
HMS1701E17ALBB-008649BBL015978SBB009252STK301537AKOS000301627FS-5888SB12075
Database identifiers
- CAS
512809-16-4- PubChem CID
- 671237
- DTXSID
DTXSID601250234- EC Number
- 859-703-3
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 390.1 · 390.1±27.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.68 · 3.68±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers4 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
盐城合瑞恩科技有限公司015162260526; 15162260526 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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