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Name |
Benzene,1-nitro-4-(4-phenyl-1,3-butadien-1-yl)- |
EINECS | N/A |
CAS No. | 15866-67-8 | Density | 1.19 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H13NO2 | Boiling Point | 418.3 °C at 760 mmHg |
Molecular Weight | 251.2799 | Flash Point | 196.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Butadiene,1-(p-nitrophenyl)-4-phenyl- (6CI,8CI);Benzene,1-nitro-4-(4-phenyl-1,3-butadienyl)- (9CI);NSC 144245; |
Article Data | 3 |
The Benzene, 1-nitro-4-(4-phenyl-1, 3-butadien-1-yl)-, with the CAS registry number 15866-67-8, is also known as 1, 3-Butadiene, 1-(p-nitrophenyl)-4-phenyl- (6CI, 8CI). This chemical's molecular formula is C16H13NO2 and molecular weight is 251.2799. What's more, its IUPAC name is 1-Nitro-4-(4-phenylbuta-1, 3-dienyl)benzene.
Physical properties about Benzene, 1-nitro-4-(4-phenyl-1, 3-butadien-1-yl)- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 79.51 cm3; (9)Molar Volume: 211.1 cm3; (10)Polarizability: 31.52×10-24 cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.19 g/cm3; (13)Flash Point: 196.3 °C; (14)Enthalpy of Vaporization: 64.58 kJ/mol; (15)Boiling Point: 418.3 °C at 760 mmHg; (16)Vapour Pressure: 8.04E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(C=CC=Cc1ccccc1)cc2
(2) InChI: InChI=1/C16H13NO2/c18-17(19)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-13H
(3) InChIKey: WDTUTMRHOVLEAN-UHFFFAOYAD