Basic information
- CAS
3321-49-1- Standard SMILES
Nc1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12- InChIKey
HTTZEKZZLKWRNB-UHFFFAOYSA-N- Molecular formula
- C16H10ClN5O4
- Average molar mass
- 371.73 g/mol
- Monoisotopic mass
- 371.0421315
Names & identifiers
- Preferred name
- 4-(2-(2-Chloro-4,6-dinitrophenyl)diazenyl)-1-naphthalenamine
- IUPAC
- 4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-amine
- English name
- 4-[(2-chloro-4,6-dinitrophenyl)azo]naphthalen-1-amine
- Molecular formula
- C16H10ClN5O4
- Molecular weight
- 371.74
Names & synonyms
3321-49-14-[2-(2-Chloro-4,6-dinitrophenyl)diazenyl]-1-naphthalenamine4-(2-(2-Chloro-4,6-dinitrophenyl)diazenyl)-1-naphthalenamineRefChem:286978EINECS 222-031-04-((2-Chloro-4,6-dinitrophenyl)azo)naphthalen-1-amine4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-amineHTTZEKZZLKWRNB-UHFFFAOYSA-NDTXSID601185421NS000495064-[(2-Chloro-4,6-dinitrophenyl)azo]-1-naphthalenamine4-[(2-chloro-4,6-dinitrophenyl)azo]naphthalen-1-amine
Database identifiers
- CAS
3321-49-1- PubChem CID
- 76837
- DTXSID
DTXSID601185421- EC Number
- 222-031-0
- Nikkaji
- J205.404C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 614.683 · 614.683±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.611 · 1.611±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.733 · 1.733±0.10(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Naphthalenamine, 4-[(2-chloro-4,6-dinitrophenyl)azo]-
Other Safety InformationIMAP assessments - 1-Naphthalenamine, 4-[(2-chloro-4,6-dinitrophenyl)azo]-: Human health tier I assessment
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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