CAS 99924-18-2 5-Phenyl-1,3-oxazole-4-carboxylic acid (HCID 2776299)

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Basic information

CAS: 99924-18-2
Standard SMILES: O=C(O)c1ncoc1-c1ccccc1
InChIKey: RUKDIKJSGDVSIF-UHFFFAOYSA-N
Molecular formula: C10H7NO3
Average molar mass: 189.17 g/mol
Monoisotopic mass: 189.04259308

Names & identifiers

Preferred name: 5-Phenyl-1,3-oxazole-4-carboxylic acid
IUPAC: 5-phenyl-1,3-oxazole-4-carboxylic acid
English name: 5-Phenyl-1,3-oxazole-4-carboxylic acid
Molecular formula: C10H7NO3
Molecular weight: 189.17

Names & synonyms

99924-18-25-phenyl-1,3-oxazole-4-carboxylic acidDTXSID20379967RefChem:304606DTXCID80330993680-489-05-phenyloxazole-4-carboxylic acid4-Oxazolecarboxylic acid, 5-phenyl-MFCD001054475-phenyl-4-oxazolecarboxylic acid5-Phenyl-oxazole-4-carboxylic acidSDCCGMLS-0065951.P001

Show more names

BUTTPARK 153\57-354-Carboxy-5-phenyl-1,3-oxazole5-Phenyl-1,3-oxazole-4-carboxylic acid ,97%5-phenyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)

SCHEMBL287658CHEMBL323921SCHEMBL278820235-phenyloxazole-4-carboxylicacidRUKDIKJSGDVSIF-UHFFFAOYSA-NALBB-019232SBB067330AKOS000123277

Database identifiers

CAS: 99924-18-2
PubChem CID: 2776299
DTXSID: DTXSID20379967
ChEMBL: CHEMBL323921
EC Number: 680-489-0

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Physicochemical properties

Melting point: 181 °C · 181 °C
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
CAS DataBase Reference: 99924 · 99924-18-2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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.