Benzene, 2-ethyl-1,3-dinitro- supplier

Name
2-ethyl-1,3-dinitrobenzene
EINECS 237-777-2
CAS No. 13985-56-3
Article Data5
CAS DataBase
Density 1.344 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₄
Boiling Point 278.8 °C at 760 mmHg
Molecular Weight 196.163
Flash Point 124 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dinitroethylbenzene;
PSA 91.64000
LogP 3.11180

Benzene, 2-ethyl-1,3-dinitro- Specification

This chemical is called Benzene, 2-ethyl-1,3-dinitro-, and it can also be named as 2-Ethyl-1,3-dinitrobenzene. With the molecular formula of C₈H₈N₂O₄, its molecular weight is 196.16. The CAS registry number of this chemical is 13985-56-3.

Other characteristics of the Benzene, 2-ethyl-1,3-dinitro- can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.48; (6)ACD/BCF (pH 7.4): 56.48; (7)ACD/KOC (pH 5.5): 624.63; (8)ACD/KOC (pH 7.4): 624.63; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 48.89 cm³; (15)Molar Volume: 145.9 cm³; (16)Polarizability: 19.38×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.344 g/cm³; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 278.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00707 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc([N+]([O-])=O)c1CC
2.InChI: InChI=1/C8H8N2O4/c1-2-6-7(9(11)12)4-3-5-8(6)10(13)14/h3-5H,2H2,1H3
3.InChIKey: SWASTJCUMFALOW-UHFFFAOYAT

Product Name

2-ethyl-1,3-dinitrobenzene

Benzene, 2-ethyl-1,3-dinitro- Specification

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