Basic information
- CAS
1007541-98-1- Standard SMILES
CCc1c(C(=O)O)cnn1CC- InChIKey
LFUBLXXJJYZGNK-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 1,5-diethyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1,5-diethylpyrazole-4-carboxylic acid
Names & synonyms
1,5-diethyl-1H-pyrazole-4-carboxylic acid1007541-98-1RefChem:417221878-659-61,5-diethylpyrazole-4-carboxylic acidHQB54198AKOS0036731141,5-diethyl-1H-pyrazole-4-carboxylicacidCS-0224051EN300-117621Z802540770
Database identifiers
- CAS
1007541-98-1- PubChem CID
- 23005673
- EC Number
- 878-659-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
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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