1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1172918-85-2- Standard SMILES
Cc1nn(CCO)cc1C(=O)O- InChIKey
BCPCUUMDQYCQNN-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- 1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxylic acid
Names & synonyms
1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid1172918-85-2RefChem:422245832-554-11-(2-hydroxyethyl)-3-methylpyrazole-4-carboxylic acidAKOS009354594CS-0248244EN300-394761-(2-hydroxyethyl)-3-methyl-pyrazole-4-carboxylic acidZ3854465681-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
1172918-85-2- PubChem CID
- 39870102
- EC Number
- 832-554-1
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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