CAS No.69628-98-4,1-(2-methoxyethyl)-4-nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69628-98-4
Name:	1-(2-methoxyethyl)-4-nitrobenzene
Article Data:	12
Cas Database

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	Methyl 2-(4-nitrophenyl)ethyl ether;1-(2-Methoxyethyl)-4-nitrobenzene;
EINECS:	274-058-2
Density:	1.154 g/cm³
Boiling Point:	273.6 °C at 760 mmHg
Flash Point:	120.6 °C
PSA:	55.05000
LogP:	2.30690

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Specification

The Benzene,1-(2-methoxyethyl)-4-nitro-, with the CAS registry number 69628-98-4, is also known as Methyl 2-(4-nitrophenyl)ethyl ether. Its EINECS number is 274-058-2. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. What's more, its IUPAC name is 1-(2-methoxyethyl)-4-nitrobenzene.

Physical properties of Benzene,1-(2-methoxyethyl)-4-nitro- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.57; (6)ACD/BCF (pH 7.4): 15.57; (7)ACD/KOC (pH 5.5): 248.36; (8)ACD/KOC (pH 7.4): 248.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 48.72 cm³; (15)Molar Volume: 156.9 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 120.6 °C; (20)Enthalpy of Vaporization: 49.14 kJ/mol; (21)Boiling Point: 273.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00949 mmHg at 25°C.

Preparation: this chemical can be prepared by (4-nitro-phenyl)-acetic acid methyl ester at the temperature of 20°C. This reaction will need reagents TiCl₄, TMSOTf, Et₃SiH and solvent CH₂Cl₂ with the reaction time of 20 hours. The yield is about 72%.

Benzene,1-(2-methoxyethyl)-4-nitro- can be prepared by (4-nitro-phenyl)-acetic acid methyl ester at the temperature of 20°C

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CCOC
(2)Std. InChI: InChI=1S/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3
(3)Std. InChIKey: VZUJQBDFJZRCBQ-UHFFFAOYSA-N