3-Vinylaniline

Product Information

Molecular Formula:
C8H9N
Molecular Weight:
119.16
Description
The formation of m-Vinylaniline from the reduction of m-Nitrostyrene containing an easily reducible vinyl-group using hydrazine hydrate as the reducing agent.
Synonyms
3-ethenylaniline; 3-ethenylaniline
IUPAC Name
3-ethenylaniline
Canonical SMILES
C=CC1=CC(=CC=C1)N
InChI
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InChI Key
IFSSSYDVRQSDSG-UHFFFAOYSA-N
Boiling Point
73 °C / 0.7 mmHg
Flash Point
210.0 °CF - closed cup
Purity
> 95.0 % (GC) (T)
Density
1.051 g/mL at 25 °C (lit.)
Appearance
Colorless to light orange to yellow clear liquid
Storage
< 0 °C
Refractive Index
n20/D 1.611 (lit.)
LogP
2.49300

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
119.073499291 g/mol
Monoisotopic Mass
119.073499291 g/mol
Topological Polar Surface Area
26Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.7
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

Patents

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CN-113477033-A Self-emulsifiable organic silicon decarbonization solvent 2021-07-20
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CN-113368852-A Preparation method and application of carbon-supported Ir-based alloy catalyst with high hydrogenation selectivity 2021-06-10
CN-113083365-A Preparation method and application of high-hydrogenation-selectivity Pt-based alloy/MOFs catalyst 2021-04-06
CN-113083365-B Preparation method and application of high-hydrogenation-selectivity Pt-based alloy/MOFs catalyst 2021-04-06
CN-113042083-A Palladium-based monatomic catalyst and preparation and application methods thereof 2021-03-25
CN-113135824-A Catalyst process for preparing aminostyrene by high-selectivity hydrogenation of nitrostyrene 2021-03-05
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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