Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Nitroacetonitrile |
EINECS | N/A |
CAS No. | 13218-13-8 | Density | 1.27 g/cm3 |
PSA | 69.61000 | LogP | 0.30988 |
Solubility | N/A | Melting Point |
N/A |
Formula | C2H2N2O2 | Boiling Point | 224.4 °C at 760 mmHg |
Molecular Weight | 86.0501 | Flash Point | 89.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NITROACETONITRILE; |
Article Data | 16 |
This chemical is called Nitroacetonitrile. With the molecular formula of C2H2N2O2, its molecular weight is 86.05. The CAS registry number of this chemical is 13218-13-8.
Other characteristics of the Nitroacetonitrile can be summarised as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -2.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 17.25 cm3; (15)Molar Volume: 67.7 cm3; (16)Polarizability: 6.83×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 89.5 °C; (20)Enthalpy of Vaporization: 46.09 kJ/mol; (21)Boiling Point: 224.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0915 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)CC#N
2.InChI: InChI=1/C2H2N2O2/c3-1-2-4(5)6/h2H2
3.InChIKey: DWBOSISZPCOPFS-UHFFFAOYAF
4.Std. InChI: InChI=1S/C2H2N2O2/c3-1-2-4(5)6/h2H2
5.Std. InChIKey: DWBOSISZPCOPFS-UHFFFAOYSA-N