5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Names
[ CAS No. ]:
1136-45-4
[ Name ]:
5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
[Synonym ]:
4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
MFCD00003153
EINECS 214-497-9
5-Methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
5-Methyl-3-phenylisoxazole-4-carboxylic acid
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
365.0±37.0 °C at 760 mmHg
[ Melting Point ]:
192-194 °C(lit.)
[ Molecular Formula ]:
C11H9NO3
[ Molecular Weight ]:
203.194
[ Flash Point ]:
174.5±26.5 °C
[ Exact Mass ]:
203.058243
[ PSA ]:
63.33000
[ LogP ]:
1.16
[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C
[ Index of Refraction ]:
1.579
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NY2750000
- CHEMICAL NAME :
- Isoxazole-4-carboxylic acid, 5-methyl-3-phenyl-
- CAS REGISTRY NUMBER :
- 1136-45-4
- BEILSTEIN REFERENCE NO. :
- 0164939
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H9-N-O3
- MOLECULAR WEIGHT :
- 203.21
- WISWESSER LINE NOTATION :
- T5NOJ C1 DVQ ER
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,781,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,322,1965
Safety Information
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S24/25-S36/37-S22
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
NY2750000
[ HS Code ]:
2934999090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2934999090
[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%