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275795-16-9

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Basic Information
CAS No.: 275795-16-9
Name: 3-TERT-BUTYL-4-NITROSOBIPHENYL
Molecular Structure:
Molecular Structure of 275795-16-9 (3-TERT-BUTYL-4-NITROSOBIPHENYL)
Formula: C16H17 N O
Molecular Weight: 239.34
Synonyms: 3-TERT-BUTYL-4-NITROSOBIPHENYL
Density: 1g/cm3
Boiling Point: 373.6°C at 760 mmHg
Flash Point: 154.1°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 29.43000
LogP: 5.04900
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Chemistry

IUPAC Name: 2-tert-Butyl-1-nitroso-4-phenylbenzene
Synonyms of 3-tert-Butyl-4-nitrosobiphenyl (CAS NO.275795-16-9): 3-(1,1-Dimethylethyl)-4-nitroso-1,1'-biphenyl
CAS NO: 275795-16-9
Molecular Formula: C16H17NO
Molecular Weight: 239.3123
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 29.43 Å2
Index of Refraction: 1.543
Molar Refractivity: 75.06 cm3
Molar Volume: 237.9 cm3 
Surface Tension: 35.3 dyne/cm
Density: 1 g/cm3
Flash Point: 154.1 °C
Enthalpy of Vaporization: 59.65 kJ/mol
Boiling Point: 373.6 °C at 760 mmHg
Vapour Pressure: 1.9E-05 mmHg at 25°C
SMILES: O=Nc1ccc(cc1C(C)(C)C)c2ccccc2 Copy
InChI: InChI=1/C16H17NO/c1-16(2,3)14-11-13(9-10-15(14)17-18)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey: VJANPCXLBDGFCT-UHFFFAOYAZ
Std. InChI: InChI=1S/C16H17NO/c1-16(2,3)14-11-13(9-10-15(14)17-18)12-7-5-4-6-8-12/h4-11H,1-3H3
Std. InChIKey: VJANPCXLBDGFCT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 10 µLg/plate

     MUREAV    Mutation Research. 467 (2000),55.
2.    

mic-sat 10 µLg/plate/48H

     MUREAV    Mutation Research. 491 (2001),195.

Safety Profile

Mutation data reported. When 3-tert-Butyl-4-nitrosobiphenyl (CAS NO.275795-16-9) is heated to decomposition, it emits toxic vapors of NOx.