1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
328071-25-6- Standard SMILES
Cc1cc(C(=O)O)n(CCO)n1- InChIKey
FOKYHSZFJQNCNU-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-5-carboxylic acid
- IUPAC
- 2-(2-hydroxyethyl)-5-methylpyrazole-3-carboxylic acid
- English name
- 1H-Pyrazole-5-carboxylicacid,1-(2-hydroxyethyl)-3-methyl-(9CI)
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-5-carboxylic acid328071-25-62-(2-hydroxyethyl)-5-methylpyrazole-3-carboxylic acidMFCD00518743Oprea1_327643SCHEMBL30970919Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-3-methyl-FOKYHSZFJQNCNU-UHFFFAOYSA-N1H-Pyrazole-5-carboxylicacid,1-(2-hydroxyethyl)-3-methyl-(9CI)AKOS006241959NS-01382DB-225552
Show more names
1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-3-methyl-
CS-0451079EN300-6734997AS-871/401817012-(2-hydroxyethyl)-5-methyl-pyrazole-3-carboxylic acid1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-5-carboxylicacid1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-5-carboxylic acid #
Database identifiers
- CAS
328071-25-6- PubChem CID
- 573207
- EC Number
- 171-154-5
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- 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
Physicochemical properties
- Boiling point
- 392.8 · 392.8±32.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…