Basic information
- CAS
40643-39-8- Standard SMILES
CN=NNc1ccc([N+](=O)[O-])cc1- InChIKey
BDSNQOSDUXHMCI-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.06472551
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Methyl-3-(4-nitrophenyl)-1-triazene
- IUPAC
- N-(methyldiazenyl)-4-nitroaniline
- English name
- 3-Methyl-1-(4-nitrophenyl)triazene
- Molecular formula
- C7H8N4O2
- Molecular weight
- 180.16
Names & synonyms
40643-39-81-(4-Nitrophenyl)-3-methyltriazeneDTXSID40193647RefChem:9076711-NPMTDTXCID801161381-Methyl-3-(4-nitrophenyl)-1-triazeneTriazene, 3-methyl-1-(p-nitrophenyl)-1-Triazene, 1-methyl-3-(4-nitrophenyl)-1-Triazene, 3-methyl-1-(4-nitrophenyl)-N-(methyldiazenyl)-4-nitroaniline3-Methyl-1-(4-nitrophenyl)triazene
Show more names
1-Triazene, 1-methyl-3-(4-nitrophenyl)- (9ci)
WLN: WNR DNUNM13-Methyl-1-(p-nitrophenyl)-triazeneNSC 279560SCHEMBL26135314SCHEMBL289275231-p-nitrophenyl-3-methyltriazene3-Methyl-1-(p-nitrophenyl)triazeneNSC279560
Database identifiers
- CAS
40643-39-8- PubChem CID
- 94508
- DTXSID
DTXSID40193647- Nikkaji
- J48.097E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 302.9 · 302.9±44.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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