Nitroacetonitrile supplier | CasNO.13218-13-8

Name
Nitroacetonitrile
EINECS
CAS No. 13218-13-8
Article Data16
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₂H₂N₂O₂
Boiling Point 224.4 °C at 760 mmHg
Molecular Weight 86.0501
Flash Point 89.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NITROACETONITRILE;
PSA 69.61000
LogP 0.30988

Nitroacetonitrile Specification

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

Product Name

Nitroacetonitrile

Nitroacetonitrile Specification

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