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| Name |
4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide |
EINECS | 263-918-2 |
| CAS No. | 63134-29-2 | Density | 1.147 g/cm3 |
| PSA | 84.15000 | LogP | 8.01730 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H35ClN2O4 | Boiling Point | 607.6 °C at 760 mmHg |
| Molecular Weight | 475.028 | Flash Point | 321.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyranilide,4'-chloro-4-(2,4-di-tert-pentylphenoxy)-3'-nitro- (7CI);Butanamide,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)-; |
4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide Chemical Properties
IUPAC Name: 4-[2,4-bis(2-Methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide
Synonyms of 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide (CAS NO.63134-29-2): Butanamide, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-chloro-3-nitrophenyl)-
CAS NO: 63134-29-2
Molecular Formula: C26H35ClN2O4
Molecular Weight: 475.02
Molecular Structure: 
EINECS: 263-918-2
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 11
Polar Surface Area: 75.36 Å2
Index of Refraction: 1.558
Molar Refractivity: 133.52 cm3
Molar Volume: 414.1 cm3
Surface Tension: 41.2 dyne/cm
Density: 1.147 g/cm3
Flash Point: 321.3 °C
Enthalpy of Vaporization: 90.29 kJ/mol
Boiling Point: 607.6 °C at 760 mmHg
Vapour Pressure: 1.04E-14 mmHg at 25°C
SMILES: O=[N+]([O-])c1cc(ccc1Cl)NC(=O)CCCOc2ccc(cc2C(C)(C)CC)C(C)(C)CC
InChI: InChI=1/C26H35ClN2O4/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30)
InChIKey: ZUAUHOGKVXHHOK-UHFFFAOYAD
Std. InChI: InChI=1S/C26H35ClN2O4/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30)Copy
Std. InChIKey: ZUAUHOGKVXHHOK-UHFFFAOYSA-N
4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 15gm/kg (15000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990. | |
| rat | LD | oral | > 15gm/kg (15000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990. |
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