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57279-70-6

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Basic Information
CAS No.: 57279-70-6
Name: 4-(2-Bromoethoxy)-1-nitrobenzene
Article Data: 8
Molecular Structure:
Molecular Structure of 57279-70-6 (4-(2-Bromoethoxy)-1-nitrobenzene)
Formula: C8H8BrNO3
Molecular Weight: 246.06
Synonyms: 2-Nitro-5-bromophenetole;4-(2-Bromoethoxy)-1-nitrobenzene;5-Bromo-2-nitrophenyl ethyl ether;
Density: 1.587 g/cm3
Melting Point: 79.5-80.5 °C(Solv: ethanol (64-17-5))
Boiling Point: 351.2 °C at 760 mmHg
Flash Point: 166.2 °C
PSA: 55.05000
LogP: 2.89170
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Specification

The CAS register number of Benzene,4-bromo-2-ethoxy-1-nitro- is 57279-70-6. It also can be called as 2-bromoethyl 4-nitrophenyl ether and the systematic name about this chemical is 1-(2-bromoethoxy)-4-nitrobenzene. The molecular formula about this chemical is C8H8BrNO3 and the molecular weight is 246.05802. It belongs to the API intermediates.

Physical properties about Benzene,4-bromo-2-ethoxy-1-nitro- are: (1)ACD/LogP: 2.80; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 55.05Å2; (5)Index of Refraction: 1.583; (6)Molar Refractivity: 51.84 cm3; (7)Molar Volume: 154.9 cm3; (8)Polarizability: 20.55x10-24cm3; (9)Surface Tension: 49.6 dyne/cm; (10)Enthalpy of Vaporization: 57.23 kJ/mol; (11)Boiling Point: 351.2 °C at 760 mmHg; (12)Vapour Pressure: 8.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCBr)cc1
(2)InChI: InChI=1/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
(3)InChIKey: YQWCBDNNEZHPMA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
(5)Std. InChIKey: YQWCBDNNEZHPMA-UHFFFAOYSA-N