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29604-25-9

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Basic Information
CAS No.: 29604-25-9
Name: 4-CHLORO-2-ETHOXY-1-NITROBENZENE
Article Data: 3
Molecular Structure:
Molecular Structure of 29604-25-9 (4-CHLORO-2-ETHOXY-1-NITROBENZENE)
Formula: C8H8ClNO3
Molecular Weight: 201.609
Synonyms: Phenetole,5-chloro-2-nitro- (6CI,8CI);4-chloro-2-ethoxy-1-nitrobenzene;5-Chloro-2-nitrophenyl ethyl ether;benzene, 4-chloro-2-ethoxy-1-nitro-;4-chloro-2-ethoxy-1-nitrobenzene;
Density: 1.311 g/cm3
Melting Point: 52-54
Boiling Point: 302.3 °C at 760 mmHg
Flash Point: 136.6 °C
Hazard Symbols: IrritantXi
PSA: 55.05000
LogP: 3.17010
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Specification

The Benzene,4-chloro-2-ethoxy-1-nitro-, with the CAS registry number 29604-25-9, has the systematic name of 4-chloro-2-ethoxy-1-nitrobenzene. It belongs to the product categories of Blocks and NitroCompounds. And the molecular formula of the chemical is C8H8ClNO3.

The characteristics of Benzene,4-chloro-2-ethoxy-1-nitro- are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 49 cm3; (9)Molar Volume: 153.7 cm3; (10)Polarizability: 19.42×10-24cm3; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 1.311 g/cm3; (13)Flash Point: 136.6 °C; (14)Enthalpy of Vaporization: 52.08 kJ/mol; (15)Boiling Point: 302.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00179 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1c(OCC)cc(Cl)cc1
(2)InChI: InChI=1/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
(3)InChIKey: YYQSMJVVERBZPU-UHFFFAOYAM