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Cas Database |
| Name |
5-Methyl-3-phenylisoxazole-4-carboxylic acid |
EINECS | 214-497-9 |
| CAS No. | 1136-45-4 | Density | 1.273g/cm3 |
| PSA | 63.33000 | LogP | 2.34820 |
| Solubility | N/A | Melting Point |
192-194 °C(lit.) |
| Formula | C11H9NO3 | Boiling Point | 365 °C at 760 mmHg |
| Molecular Weight | 203.197 | Flash Point | 174.5 °C |
| Transport Information | N/A | Appearance | cream to pale brown solid |
| Safety | 24/25-36/37-22 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Phenyl-5-methylisoxazole-4-carboxylicacid;4-Carboxy-5-methyl-3-phenylisoxazole;NSC 76870; |
Article Data | 26 |
5-Methyl-3-phenylisoxazole-4-carboxylic acid Chemical Properties
Molecular structure of 5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS NO.1136-45-4) is:
Product Name: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
CAS Registry Number: 1136-45-4
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Molecular Weight: 203.19406 [g/mol]
Molecular Formula: C11H9NO3
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 4
EINECS: 214-497-9
Melting Point: 192-194 °C(lit.)
Surface Tension: 52 dyne/cm
Density: 1.273 g/cm3
Flash Point: 174.5 °C
Enthalpy of Vaporization: 64.49 kJ/mol
Boiling Point: 365 °C at 760 mmHg
Vapour Pressure: 5.74E-06 mmHg at 25°C
Product Categories: Heterocyclic Series;Oxazole&Isoxazole;Organic acids;Oxacilline;Building Blocks;Heterocyclic Building Blocks;Isoxazoles
5-Methyl-3-phenylisoxazole-4-carboxylic acid Uses
5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS NO.1136-45-4) can be used for the production of sodium oxacillin.
5-Methyl-3-phenylisoxazole-4-carboxylic acid Production
5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS NO.1136-45-4) can be derived by the reaction of cyclization of the benzyl chloride and acetyl ethyl oxime and then hydrolysis.
5-Methyl-3-phenylisoxazole-4-carboxylic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 300mg/kg (300mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 322, 1965. | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 781, 1962. |
5-Methyl-3-phenylisoxazole-4-carboxylic acid Consensus Reports
Reported in EPA TSCA Inventory.
5-Methyl-3-phenylisoxazole-4-carboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 24/25-36/37-22
S24/25:Avoid contact with skin and eyes.
S36/37:Wear suitable protective clothing and gloves.
S22:Do not breathe dust.
WGK Germany: 3
RTECS: NY2750000
HazardClass: IRRITANT
5-Methyl-3-phenylisoxazole-4-carboxylic acid Specification
5-Methyl-3-phenylisoxazole-4-carboxylic acid , its cas register number is 1136-45-4. It also can be called 3-Phenyl-5-methylisoxazol-4-carbonsaeure ; 3-Phenyl-5-methylisoxazole-4-carboxylic acid ; Isoxazole-4-carboxylic acid, 5-methyl-3-phenyl- ; 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl- .It is a cream to pale brown solid.
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