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Name |
4-Isopropyl-ω-nitrostyrene |
EINECS | N/A |
CAS No. | 42139-37-7 | Density | 1.081 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
35 °C |
Formula | C11H13NO2 | Boiling Point | 294.6 °C at 760 mmHg |
Molecular Weight | 191.23 | Flash Point | 126.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene, 1-(1-methylethyl)-4-(2-nitroethenyl)-; |
Article Data | 5 |
The 4-Isopropyl-ω-nitrostyrene with the CAS registry number of 42139-37-7, is also known as Benzene, 1-(1-methylethyl)-4-(2-nitroethenyl)- . It belongs to the product categories of Ethanes/ethenes; Phenyls & Phenyl-Het. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.23. What's more, its IUPAC name is 1-[(E)-2-Nitroethenyl]-4-propan-2-ylbenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 4-Isopropyl-ω-nitrostyrene are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 261.5; (6)ACD/BCF (pH 7.4): 261.5; (7)ACD/KOC (pH 5.5): 1870.82; (8)ACD/KOC (pH 7.4): 1870.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 57.71 cm3; (15)Molar Volume: 176.7 cm3; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.081 g/cm3; (18)Flash Point: 126.3 °C; (19)Enthalpy of Vaporization: 51.28 kJ/mol; (20)Boiling Point: 294.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00283 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)\C=C\c1ccc(cc1)C(C)C
(2) InChI: InChI=1/C11H13NO2/c1-9(2)11-5-3-10(4-6-11)7-8-12(13)14/h3-9H,1-2H3/b8-7+
(3) InChIKey: PLOZMGIWCWVROY-BQYQJAHWBM