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CAS No.: | 2510-32-9 |
---|---|
Name: | 4-METHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C5H5NO3 |
Molecular Weight: | 127.1 |
Synonyms: | 4-Methyl-5-oxazolecarboxylic acid;NSC 158017;4-Methyl-1,3-oxazole-5-carboxylicacid;4-Methyloxazole-5-carboxylic acid; |
Density: | 1.348 g/cm3 |
Melting Point: | 239 °C |
Boiling Point: | 267.3 °C at 760 mmHg |
Flash Point: | 115.5 °C |
Appearance: | white powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 63.33000 |
LogP: | 0.68120 |
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IUPAC Name: 4-methyl-1,3-oxazole-5-carboxylic acid
Molecular Formula: C5H5NO3
Molecular Weight: 127.1 g/mol
Canonical SMILES: CC1=C(OC=N1)C(=O)O
InChI: InChI=1S/C5H5NO3/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)
Mol File: 2510-32-9.mol
Product Categories: Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; HeterocyclicCompounds; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks; Heterocyclic Building Blocks; Oxazoles
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 127.026943
MonoIsotopic Mass: 127.026943
Topological Polar Surface Area: 63.3
Heavy Atom Count: 9
Complexity: 125
Index of Refraction: 1.514
Molar Refractivity: 28.39 cm3
Molar Volume: 94.2 cm3
Polarizability: 11.25×10-24cm3
Surface Tension: 53.7 dyne/cm
Density: 1.348 g/cm3
Flash Point: 115.5 °C
Enthalpy of Vaporization: 53.39 kJ/mol
Boiling Point: 267.3 °C at 760 mmHg
Melting Point: 239 °C
Vapour Pressure of 4-Methyloxazole-5-carboxylic acid (CAS NO.2510-32-9): 0.00408 mmHg at 25 °C
4-Methoxyoxazole-5-carboxylic Acid is used in the synthesis of highly selective α4β2-Nicotinic acetylcholine receptor agonists used in the treatment of cognitive disorders. It is also used in the synthesis of small molecule human FPR1 receptor antagonists.
Hazard Codes: Xi,Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note of 4-Methyloxazole-5-carboxylic acid (CAS NO.2510-32-9): Irritant
4-Methyloxazole-5-carboxylic acid (CAS NO.2510-32-9), its Synonyms are 4-Methyl-5-oxazolecarboxylic acid
; 4-Methyl-oxazole-5-carboxylic acid ; 4-Methyl-1,3-oxazole-5-carboxylic acid ; 4-Methyl-1,3-oxazole-5-
carboxylic acid 95% ; 4-Methyl-1,3-oxazole-5-carboxylic acid ,97% .