Basic information
- CAS
39750-11-3- Standard SMILES
[2H]c1c([2H])c(OC([2H])([2H])[2H])c([2H])c([2H])c1N=[N+]([O-])c1c([2H])c([2H])c(OC([2H])([2H])[2H])c([2H])c1[2H]- InChIKey
KAEZRSFWWCTVNP-DDAUHAMOSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 272.36 g/mol
- Monoisotopic mass
- 272.18831676
Overview
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Names & identifiers
- Preferred name
- Diazene, bis(4-(methoxy-d3)phenyl-2,3,5,6-d4)-, 1-oxide
- IUPAC
- oxido-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]iminoazanium
- English name
- 4,4'-AZOXYANISOLE-D14, 96 ATOM % D
- Molecular formula
- C14D14N2O3
- Molecular weight
- 272.36
Names & synonyms
39750-11-3Diazene, bis(4-(methoxy-d3)phenyl-2,3,5,6-d4)-, 1-oxideoxido-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]-[2,3,5,6-tetradeuterio-4-(trideuteriomethoxy)phenyl]iminoazaniumDiazene, bis[4-(methoxy-d3)phenyl-2,3,5,6-d4]-, 1-oxide4,4'-Azoxyanisole-d14EINECS 254-619-8Diazene, 1,2-bis(4-(methoxy-d3)phenyl-2,3,5,6-d4)-, 1-oxideBis(4-((2H3)methoxy)(2H4)phenyl)diazonium 1-oxide4,4'Azoxyanisole-d(2H14)(4,4'-Dimethoxyazoxybenzene)4,4'-AZOXYANISOLE-D14, 96 ATOM % Dbis[4-[(2H3)methoxy)](2H4)phenyl]diazonium 1-oxide
Show more names
bis[4-(methoxy-d3)phenyl-2,3,5,6-d4]-diazen1-oxide4,4'-Di[(2H3)methoxy][1,1'-ONN-azoxybis[(2,3,5,6-2H4)benzene]]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 120 · 120-122 °C(lit.)
- Boiling point
- 417.945 · 417.945±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.148 · 1.148±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 4 · Diazene, bis[4-(methoxy-d3)phenyl-2,3,5,6-d4]-, 1-oxide (39750-11-3)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Suppliers4 total
Related reactions
0 records
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Compound notes
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