CAS No.42139-37-7,4-ISOPROPYL-OMEGA-NITROSTYRENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42139-37-7
Name:	4-ISOPROPYL-OMEGA-NITROSTYRENE
Article Data:	5

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.23
Synonyms:	Benzene, 1-(1-methylethyl)-4-(2-nitroethenyl)-;
Density:	1.081 g/cm³
Melting Point:	35 °C
Boiling Point:	294.6 °C at 760 mmHg
Flash Point:	126.3 °C

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Specification

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