2-Phenyl-4-nitroanisol supplier

Name
2-Phenyl-4-nitroanisol
EINECS
CAS No. 15854-75-8
Article Data9
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₁NO₃
Boiling Point 355.7 °C at 760 mmHg
Molecular Weight 229.235
Flash Point 156.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole,4-nitro-2-phenyl- (7CI,8CI);2-Methoxy-5-nitrobiphenyl;
PSA 55.05000
LogP 3.79360

2-Phenyl-4-nitroanisol Specification

The 2-Phenyl-4-nitroanisol, with the CAS registry number 15854-75-8, is also known as 1,1'-Biphenyl, 2-methoxy-5-nitro-. This chemical's molecular formula is C₁₃H₁₁NO₃ and molecular weight is 229.23. Its systematic name is called 2-methoxy-5-nitrobiphenyl.

Physical properties of 2-Phenyl-4-nitroanisol: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 202.5; (6)ACD/BCF (pH 7.4): 202.5; (7)ACD/KOC (pH 5.5): 1557.92; (8)ACD/KOC (pH 7.4): 1557.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 64.06 cm³; (14)Molar Volume: 190.5 cm³; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.202 g/cm³; (17)Flash Point: 156.1 °C; (18)Enthalpy of Vaporization: 57.71 kJ/mol; (19)Boiling Point: 355.7 °C at 760 mmHg; (20)Vapour Pressure: 6.31E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(OC)c(c1ccccc1)c2
(2)InChI: InChI=1/C13H11NO3/c1-17-13-8-7-11(14(15)16)9-12(13)10-5-3-2-4-6-10/h2-9H,1H3
(3)InChIKey: DFVBQSMLKLCRCB-UHFFFAOYAJ

Product Name

2-Phenyl-4-nitroanisol

2-Phenyl-4-nitroanisol Specification

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