1-(2-ethoxyethyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1155064-14-4- Standard SMILES
CCOCCn1cc(C(=O)O)cn1- InChIKey
ZLJYIFMQJACKSN-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479225
Names & identifiers
- Preferred name
- 1-(2-ethoxyethyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(2-ethoxyethyl)pyrazole-4-carboxylic acid
Names & synonyms
1-(2-ethoxyethyl)-1H-pyrazole-4-carboxylic acid1155064-14-4RefChem:421962981-683-01-(2-ethoxyethyl)pyrazole-4-carboxylic acidFWB06414MFCD12139600AKOS009587127CS-0245478EN300-305589G458621-(2-ethoxyethyl)-1H-pyrazole-4-carboxylicacid
Show more names
A1-14247F2147-3684Z431977642
Database identifiers
- CAS
1155064-14-4- PubChem CID
- 43565271
- EC Number
- 981-683-0
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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