3681-79-6

Basic information

• Product Name: NITRO-15N-BENZENE
• Synonyms: NITRO-15N-BENZENE, 98 ATOM % 15N;NITROBENZENE (15N);NITRO-15N-BENZENE
• CAS NO: 3681-79-6
• Molecular Formula: C₆H₅NO₂
• Molecular Weight: 124.12
• Product Categories: Alphabetical Listings;N-O;Stable Isotopes
• Mol File: 3681-79-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 5-6 °C(lit.)
• Boiling Point: 210-211 °C(lit.)
• Flash Point: 190 °F
• Appearance: /
• Density: 1.205 g/mL at 25 °C
• Refractive Index: n20/D 1.5506(lit.)
• CAS DataBase Reference: NITRO-15N-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: NITRO-15N-BENZENE(3681-79-6)
• EPA Substance Registry System: NITRO-15N-BENZENE(3681-79-6)

Safety Data

• Hazard Codes: T,N
• Statements: 23/24/25-40-48/23/24-51/53-62
• Safety Statements: 28-36/37-45-61
• RIDADR: UN 1662 6.1/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 3681-79-6(Hazardous Substances Data)

Upstream product

• 71-43-2 benzene 

Downstream Products

• 74638-78-1 <15N,15N'>azoxybenzene 
• 1314878-75-5 2,2-difluoro-2-(2-iodo-1,1,2,2-tetrafluoroethoxy)-⁽¹⁵⁾N-acetanilide 
• 148716-83-0 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-ethanesulfonyl amide 

Relevant articles and documents

15N Nuclear Polarisation in Nitration and Related Reactions. Part 5. The Borderline between the Classical and the Electron Transfer Mechanisms in Nitration by the Nitronium Ion

The nitration of p-xylene, mesitylene, naphthalene, 2H8>naphthalene, durene and some related compounds has been followed by 15N NMR spectroscopy in a mixture of trifluoroacetic acid and nitromethane containing sufficient sodium azide to inhibit nitrous acid catalysed nitration.Significant 15N nuclear polarisation occurs with durene and the naphthalenes and has been analysed by comparison with theoretical curves leading to the calculation of enhancement coefficients.The results indicate that a small part of the reaction of naphthalene with nitronium ions under these conditions involves direct electron transfer between the reactants before the formation of the Wheland intermediate.The extent of this electron transfer is much greater than expected from Marcus theory calculations based on an outer-sphere electron transfer (ET) reaction: the discrepancy is discussed in terms of the initial interaction between the reactants and the solvent effects on the equilibrium constant for the electron transfer.