Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene,4-chloro-2-ethoxy-1-nitro- |
EINECS | N/A |
CAS No. | 29604-25-9 | Density | 1.311 g/cm3 |
PSA | 55.05000 | LogP | 3.17010 |
Solubility | N/A | Melting Point |
52-54 |
Formula | C8H8ClNO3 | Boiling Point | 302.3 °C at 760 mmHg |
Molecular Weight | 201.609 | Flash Point | 136.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
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; |
Article Data | 3 |
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