2-Nitrophenyl Octyl Ether

Product Information

Molecular Formula:
C14H21NO3
Molecular Weight:
251.32
Description
Good compatibility with a large number of polymers such as polyurethane (PU), polyvinyl chloride (PVC), natural rubber (NR), styrene-butadiene rubber (SBR), blends of styrene-butadiene rubber and butadiene rubber (SBR/BR), isobutylene-isoprene rubber (IIR), acrylonitrile-butadiene rubber (NBR) and chloroprene rubber (CR).
Synonyms
2-(N-OCTYLOXY)NITROBENZENE; 2-(OCTYLOXY)NITROBENZENE; 2-NITROPHENYL OCTYL ETHER; 2-NITROPHENYL N-OCTYL ETHER; 1-NITRO-2-OCTYLOXYBENZENE; 1-NITRO-2-OCTYLOXYBENZOL; TIMTEC-BB SBB009146; 1-nitro-2-(octyloxy)-benzen
IUPAC Name
1-nitro-2-octoxybenzene
Canonical SMILES
CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key
CXVOIIMJZFREMM-UHFFFAOYSA-N
Boiling Point
197-198 °C/11 mmHg(lit.)
Flash Point
235.4 °F
Purity
>98.0%(GC)
Density
1.04
Appearance
clear yellow liquid
Refractive Index
n20/D 1.508 (lit.)

Computed Properties

XLogP3
5.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Exact Mass
251.15214353 g/mol
Monoisotopic Mass
251.15214353 g/mol
Topological Polar Surface Area
55Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
228
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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