Benzonitrile,3-methoxy-2-nitro- supplier

Name
3-Methoxy-2-Nitro Benzonitrile
EINECS
CAS No. 142596-50-7
Article Data4
CAS DataBase
Density 1.324 g/cm³
Solubility
Melting Point 122 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Formula C₈H₆N₂O₃
Boiling Point 341.123 °C at 760 mmHg
Molecular Weight 178.14484
Flash Point 160.106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Anisonitrile,2-nitro- (5CI);3-Methoxy-2-nitrobenzontrile;
PSA 78.84000
LogP 1.99828

Benzonitrile,3-methoxy-2-nitro- Specification

The Benzonitrile,3-methoxy-2-nitro- is an organic compound with the molecular formula C₈H₆N₂O₃. Its CAS registry number is 142596-50-7. The IUPAC name of this chemical is called 3-Methoxy-2-nitrobenzonitrile. What's more, the molecular weight of this chemical is 178.14484.

Physical properties about Benzonitrile,3-methoxy-2-nitro- are: (1)ACD/LogP: 1.02; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.018; (4)ACD/LogD (pH 7.4): 1.018; (5)ACD/BCF (pH 5.5): 3.498; (6)ACD/BCF (pH 7.4): 3.498; (7)ACD/KOC (pH 5.5): 85.281; (8)ACD/KOC (pH 7.4): 85.281; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.84 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 43.718 cm³; (15)Molar Volume: 134.587 cm³; (16)Polarizability: 17.331×10^-24 cm³; (17)Surface Tension: 56.324 dyne/cm; (18)Density: 1.324 g/cm³; (19)Flash Point: 160.106 °C; (20)Enthalpy of Vaporization: 58.475 kJ/mol; (21)Boiling Point: 341.123 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(c1N(=O)=O)C#N
(2) InChI: InChI=1/C8H6N2O3/c1-13-7-4-2-3-6(5-9)8(7)10(11)12/h2-4H,1H3
(3) InChIKey: OXWWZQUPPXKYQB-UHFFFAOYAX

Product Name

3-Methoxy-2-Nitro Benzonitrile

Benzonitrile,3-methoxy-2-nitro- Specification

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