Potassium 1,3-benzoxazole-2-carboxylate
Basic information
- CAS
119130-94-8- Standard SMILES
O=C([O-])c1nc2ccccc2o1.[K+]- InChIKey
BJRBWXXVOQASLD-UHFFFAOYSA-M- Molecular formula
- C8H4KNO3
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 200.98282447
Names & identifiers
- Preferred name
- Potassium 1,3-benzoxazole-2-carboxylate
- IUPAC
- potassium 1,3-benzoxazole-2-carboxylate
- English name
- Benzo[d]oxazole-2-carboxylic acid, potassium salt
- Molecular formula
- C8H4KNO3
- Molecular weight
- 201.22056
Names & synonyms
119130-94-8potassium 1,3-benzoxazole-2-carboxylateRefChem:867484839-785-7potassium benzo[d]oxazole-2-carboxylatepotassium;1,3-benzoxazole-2-carboxylateMFCD20441325Benzo[d]oxazole-2-carboxylic acid, potassium saltC8H4KNO3UEA13094AKOS025147193potassiumbenzo[d]oxazole-2-carboxylate
Show more names
Benzooxazol-2-carboxylic? acidpotassium saltBenzoOxazole-2-carboxylic? acidpotassium salt
potassium benzoxazole-2-carboxylate saltEN300-1265532F361046F9995-2641
Database identifiers
- CAS
119130-94-8- PubChem CID
- 71299239
- EC Number
- 839-785-7
- Nikkaji
- J2.991.105C
Properties
Computed structural properties
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesPotassium Benzo[d]oxazole-2-carboxylate is used in the synthesis of novel negative allosteric modulators of the dopamine D2 receptor.
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Related reactions
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Compound notes
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