Basic Information | Post buying leads | Suppliers |
Name |
Benzene,2-methoxy-1,4-dinitro- |
EINECS | N/A |
CAS No. | 3962-77-4 | Density | 1.444 g/cm3 |
PSA | 100.87000 | LogP | 2.55800 |
Solubility | N/A | Melting Point |
97°C |
Formula | C7H6N2O5 | Boiling Point | 363.4 °C at 760 mmHg |
Molecular Weight | 198.135 | Flash Point | 188.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anisole,2,5-dinitro- (7CI,8CI);2,5-Dinitroanisole; |
The Benzene, 2-methoxy-1, 4-dinitro-, with the CAS registry number 3962-77-4, is also known as 2, 5-Dinitroanisole. This chemical's molecular formula is C7H6N2O5 and molecular weight is 198.13294. What's more, its systematic name is 2, 5-Dinitrophenyl methyl ether.
Physical properties about Benzene, 2-methoxy-1, 4-dinitro- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.48; (6)ACD/BCF (pH 7.4): 7.48; (7)ACD/KOC (pH 5.5): 147.02; (8)ACD/KOC (pH 7.4): 147.02; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.87 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 46.02 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 18.24×10-24 cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.444 g/cm3; (19)Flash Point: 188.7 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 363.4 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1N(=O)=O)N(=O)=O
(2) InChI: InChI=1/C7H6N2O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3
(3) InChIKey: MUBJXSCTPOBLCX-UHFFFAOYAP