Basic information
- CAS
179692-09-2- Standard SMILES
CCOC(=O)c1[nH]ncc1C=O- InChIKey
UEQLAZGHIUZUEO-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- ethyl 4-formyl-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 4-formyl-1H-pyrazole-5-carboxylate
- English name
- 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
ethyl 4-formyl-1H-pyrazole-5-carboxylateRefChem:595421820-999-4ethyl 4-formyl-1H-pyrazole-3-carboxylate179692-09-21H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl esterMFCD076431851H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)4-Formyl-1H-pyrazole-3-carboxylic acid ethyl esterSCHEMBL15112320DTXSID40351902ethyl 4-formylpyrazole-3-carboxylate
Show more names
methyl 4-formyl-1H-pyrazole-3-carboxylateAlbb-007090ethyl 4-formyl-2H-pyrazole-3-carboxylateethyl 4-formyl-1H-pyrazol-3(5)-carboxylateethyl 4-methanoyl-2H-pyrazole-3-carboxylateEthyl 4-formyl-1H-pyrazole-3-carboxylic acid4-Formyl-1H-pyrazol-3-carboxylic acid ethyl ester4-formyl-2H-pyrazole-3-carboxylic acid ethyl ester
DS-8686SY123002EN300-103347AMY12167BB 0258432SCHEMBL1073562STK5042YQF3723
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 382.944 · 382.944±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.874 · 8.874±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933199090 · 2933199090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
北京索莱宝科技有限公司
Related reactions
1 records
Compound notes
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