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63134-29-2

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Basic Information
CAS No.: 63134-29-2
Name: 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide
Molecular Structure:
Molecular Structure of 63134-29-2 (4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide)
Formula: C26H35ClN2O4
Molecular Weight: 475.028
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)-;
EINECS: 263-918-2
Density: 1.147 g/cm3
Boiling Point: 607.6 °C at 760 mmHg
Flash Point: 321.3 °C
PSA: 84.15000
LogP: 8.01730
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Chemistry

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

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.