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| CAS No.: | 32808-51-8 |
|---|---|
| Name: | bucloxic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C16H19 Cl O3 |
| Molecular Weight: | 294.778 |
| Synonyms: | Propionicacid, 3-(3-chloro-4-cyclohexylbenzoyl)- (8CI);3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid; 4-(m-Chloro-p-cyclohexylphenyl)-4-oxobutyricacid; 804CB; Bucloxic acid; Bucloxonic acid; Esfar |
| Density: | 1.219g/cm3 |
| Melting Point: | 163° |
| Boiling Point: | 482°Cat760mmHg |
| Flash Point: | 245.3°C |
| Safety: | Poison by intraperitoneal and ingestion routes. Experimental teratogenic and reproductive effects. An anti-inflammatory agent. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 54.37000 |
| LogP: | 4.43520 |
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Chemistry
The Molecular Structure of 4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid (CAS NO.32808-51-8):
Molecular Formula: C16H19ClO3
Molecular Weight: 294.773260 g/mol
Index of Refraction: 1.557
Molar Refractivity: 77.86 cm3
Molar Volume: 241.7 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.219 g/cm3
Flash Point: 245.3 °C
Enthalpy of Vaporization: 78.67 kJ/mol
Boiling Point: 482 °C at 760 mmHg
Vapour Pressure: 4.22E-10 mmHg at 25°C
InChI
InChI=1/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)
Smiles
C1(c2c(Cl)cc(C(=O)CCC(=O)O)cc2)CCCCC1
Classification Code: Drug / Therapeutic Agent,Neuromuscular Agents,Peripheral Nervous System Agents,Reproductive Effect
The IUPAC of 4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid (CAS NO.32808-51-8) is 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid .
Toxicity Data With Reference
| 1. | orl-rat LD50:120 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 24 (1974),1364. | ||
| 2. | ipr-rat LD50:195 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 24 (1974),1398. | ||
| 3. | orl-mus LD50:852 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 24 (1974),1398. | ||
| 4. | ipr-mus LD50:1100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 24 (1974),1364. |
Safety Profile
Poison by intraperitoneal and ingestion routes. Experimental teratogenic and reproductive effects. An anti-inflammatory agent. When heated to decomposition it emits toxic fumes of Cl−.
Specification
4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid (CAS NO.32808-51-8) is also called as Bucloxic acid [INN:DCF] ; 3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid ; 3-Chloro-4-cyclohexyl-alpha-oxobenzenebutanoic acid ; 4-(3-Chloro-4-cyclohexylphenyl)-4-oxo-butyric acid ; 804 CB ; Acide bucloxique ; Acide bucloxique [INN-French] ; Acido bucloxico ; Acido bucloxico [INN-Spanish] ; Acidum bucloxicum ; Acidum bucloxicum [INN-Latin] ; BRN 2949306 ; Benzenebutanoic acid, 3-chloro-4-cyclohexyl-alpha-oxo- ; Bucloxic acid ; Bucloxinsaeure ; Bucloxinsaeure [German] ; Bucloxonic acid ; EINECS 251-231-0 ; Esfar ; UNII-KV89R7ELF8 ; l'Acide bucloxique ; l'Acide bucloxique [French] ; Propionic acid, 3-(3-chloro-4-cyclohexylbenzoyl)- .