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69628-98-4

Basic Information
CAS No.: 69628-98-4
Name: Benzene,1-(2-methoxyethyl)-4-nitro-
Article Data: 12
Cas Database
Molecular Structure:
Molecular Structure of 69628-98-4 (Benzene,1-(2-methoxyethyl)-4-nitro-)
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
Melting Point: N/A
Boiling Point: 273.6 °C at 760 mmHg
Flash Point: 120.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
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