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Name |
Benzene,1-chloro-2,4-dimethyl-5-nitro- |
EINECS | N/A |
CAS No. | 69383-68-2 | Density | 1.273 g/cm3 |
PSA | 45.82000 | LogP | 3.38820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8ClNO2 | Boiling Point | 270.8 °C at 760 mmHg |
Molecular Weight | 185.61 | Flash Point | 117.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Xylene,4-chloro-6-nitro- (3CI);1-Chloro-2,4-dimethyl-5-nitrobenzene;4-Chloro-6-nitro-m-xylene; |
Article Data | 6 |
The CAS register number of Benzene,1-chloro-2,4-dimethyl-5-nitro- is 69383-68-2. It also can be called as 4-Chloro-6-nitro-m-xylene and the IUPAC name about this chemical is 1-chloro-2,4-dimethyl-5-nitrobenzene. The molecular formula about this chemical is C8H8ClNO2 and the molecular weight is 185.61.
Physical properties about Benzene,1-chloro-2,4-dimethyl-5-nitro- are: (1)ACD/LogP: 3.56; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 45.82Å2; (4)Index of Refraction: 1.562; (5)Molar Refractivity: 47.34 cm3; (6)Molar Volume: 145.7 cm3; (7)Polarizability: 18.76x10-24cm3; (8)Surface Tension: 43.2 dyne/cm; (9)Enthalpy of Vaporization: 48.85 kJ/mol; (10)Boiling Point: 270.8 °C at 760 mmHg; (11)Vapour Pressure: 0.0112 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-[5-(bis-ethoxycarbonyl-methyl)-4-chloro-2-nitro-phenyl]-malonic acid diethyl ester. This reaction will also produce (2-chloro-5-methyl-4-nitro-phenyl)-acetic acid ethyl ester. This reaction is a kind of Decarboxylation//Krapcho's reaction. It will need reagent MgCl2*6H2O and solvent N,N-dimethyl-acηmide. The reaction time is 7 hour(s) with reaction temperature of 140 - 150 ℃. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(cc1C)C)[N+]([O-])=O
(2)InChI: InChI=1/C8H8ClNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
(3)InChIKey: IDWXDUNLFIGCAL-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H8ClNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
(5)Std. InChIKey: IDWXDUNLFIGCAL-UHFFFAOYSA-N