Basic information
- CAS
925200-28-8- Standard SMILES
Cn1ncc(-c2ccno2)c1C(=O)O- InChIKey
IPKLNHHOWOKQKK-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.04874109
Names & identifiers
- Preferred name
- 1-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid
- English name
- 4-Isoxazol-5-yl-2-methyl-2 H-pyrazole-3-carboxylic acid
- Molecular formula
- C8H7N3O3
- Molecular weight
- 193.16
Names & synonyms
925200-28-81-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-5-carboxylic acidRefChem:434309852-058-94-isoxazol-5-yl-1-methyl-1H-pyrazole-5-carboxylic acidMFCD049711262-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carboxylic acid4-(Isoxazol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid4-isoxazol-5-yl-1-methylpyrazole-5-carboxylic acidMLS000674546SCHEMBL2387777CHEMBL1527633
Show more names
AKOS B022153ART-CHEM-BB B0221534-Isoxazol-5-yl-2-methyl-2 H-pyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 4-(5-isoxazolyl)-1-methyl-
HMS2643J124-(5-ISOXAZOLYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACIDALBB-003632BBL039333SBB013518STK313336AKOS000311484LS-01284
Database identifiers
- CAS
925200-28-8- PubChem CID
- 4912935
- ChEMBL
CHEMBL1527633
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 424 · 424.0±35.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 2.34 · 2.34±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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