Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene,2-chloro-1,3-dimethyl-5-nitro- |
EINECS | N/A |
CAS No. | 38560-96-2 | Density | 1.273 g/cm3 |
PSA | 45.82000 | LogP | 3.38820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8ClNO2 | Boiling Point | 283.751 °C at 760 mmHg |
Molecular Weight | 185.61 | Flash Point | 125.408 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Chloro-2,6-dimethyl-4-nitrobenzene;2,6-Dimethyl-4-nitrochlorobenzene;2-Chloro-1,3-dimethyl-5-nitrobenzene;2-Chloro-5-nitro-m-xylene;4-Chloro-3,5-dimethylnitrobenzene; |
Article Data | 2 |
The Benzene, 2-chloro-1, 3-dimethyl-5-nitro-, with the CAS registry number 38560-96-2, is also known as 1-Chloro-2, 6-dimethyl-4-nitrobenzene. This chemical's molecular formula is C8H8ClNO2 and molecular weight is 185.61. What's more, its IUPAC name is 2-Chloro-1, 3-dimethyl-5-nitrobenzene.
Physical properties about Benzene, 2-chloro-1, 3-dimethyl-5-nitro- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 47.343 cm3; (9)Molar Volume: 145.776 cm3; (10)Polarizability: 18.768×10-24 cm3; (11)Surface Tension: 43.286 dyne/cm; (12)Density: 1.273 g/cm3; (13)Flash Point: 125.408 °C; (14)Enthalpy of Vaporization: 50.171 kJ/mol; (15)Boiling Point: 283.751 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cc([N+]([O-])=O)cc1C)C
(2) InChI: InChI=1/C8H8ClNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
(3) InChIKey: XOTLSEJRAUKAPO-UHFFFAOYAD