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Cas Database |
| Name |
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid |
EINECS | N/A |
| CAS No. | 18046-21-4 | Density | 1.362g/cm3 |
| PSA | 78.43000 | LogP | 4.75760 |
| Solubility | 31.66mg/L(25 oC) | Melting Point |
162°C |
| Formula | C17H12 Cl N O2 S | Boiling Point | 556.2°Cat760mmHg |
| Molecular Weight | 329.807 | Flash Point | 290.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Other experimental reproductive effects. An anti-inflammatory agent. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−. | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Thiazoleaceticacid, 4-(p-chlorophenyl)-2-phenyl- (8CI);2-Phenyl-4-p-chlorophenylthiazol-5-ylacetic acid;4-(4-Chlorophenyl)-2-phenylthiazole-5-acetic acid;4-(p-Chlorophenyl)-2-phenylthiazole-5-acetic acid; BR 700; BR 700(pharmaceutical); CH 800; Donorest; Fentiazac; Flogene; NSC 282191; Norvedan;WY 21894; [4-(4-Chlorophenyl)-2-phenylthiazol-5-yl]acetic acid |
Article Data | 10 |
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid Chemical Properties
The Molecular Structure of 4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid (CAS NO.18046-21-4):
Molecular Formula: C17H12ClNO2S
Molecular Weight: 329.800680 g/mol
IUPAC: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
Index of Refraction: 1.646
Molar Refractivity: 87.92 cm3
Molar Volume: 242 cm3
Surface Tension: 57.1 dyne/cm
Density: 1.362 g/cm3
Flash Point: 290.2 °C
Enthalpy of Vaporization: 88.15 kJ/mol
Boiling Point: 556.2 °C at 760 mmHg
Vapour Pressure: 3.3E-13 mmHg at 25°C
InChI
InChI=1/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
Smiles
c1(c(sc(n1)c1ccccc1)CC(O)=O)c1ccc(Cl)cc1
Classification Code: Analgesics;Analgesics, Non-Narcotic;Anti-Inflammatory Agent;Anti-inflammatory;Anti-inflammatory agents, non-steroidal;Antirheumatic Agents;Drug / Therapeutic Agent;Peripheral Nervous System Agents;Reproductive Effect;Sensory System Agents
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid Toxicity Data With Reference
| 1. | orl-rat LD50:409 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 6 (1982),APP-17. | ||
| 2. | ipr-rat LD50:325 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 6 (1982),APP-17. | ||
| 3. | scu-rat LD50:543 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 4. | ivn-rat LD50:160 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 13 (1979),1895. | ||
| 5. | orl-mus LD50:520 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 6 (1982),APP-17. | ||
| 6. | ipr-mus LD50:385 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 7. | scu-mus LD50:655 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 8. | ivn-mus LD50:161 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 13 (1979),1895. | ||
| 9. | ivn-dog LD50:103 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 13 (1979),1895. | ||
| 10. | orl-rbt LD50:625 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 13 (1979),1895. | ||
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Other experimental reproductive effects. An anti-inflammatory agent. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
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
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid Specification
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid (CAS NO.18046-21-4) is also called as Fentiazac ; Fentiazac [USAN:INN:BAN:JAN] ; 4-(4-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid ; BR 700 ; BRN 1083610 ; CH 800 ; Donorest ; EINECS 241-958-1 ; Fentiazac ; Fentiazaco ; Fentiazaco [INN-Spanish] ; Fentiazacum ; Fentiazacum [INN-Latin]
Flogene ; NSC 282191 ; Norvedan ; UNII-0YHF6E6NLS ; WY 21,894 ; 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl- ; 5-Thiazoleacetic acid, 4-(p-chlorophenyl)-2-phenyl- ; Fentiazac .
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