3-Nitroazobenzene
Basic information
- CAS
4827-19-4- Standard SMILES
O=[N+]([O-])c1cccc(N=Nc2ccccc2)c1- InChIKey
YDVWTPOYERGSCU-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- 3-Nitroazobenzene
- IUPAC
- (3-nitrophenyl)-phenyldiazene
- English name
- (E)-(3-nitrophenyl)(phenyl)diazene
- Molecular formula
- C12H9N3O2
- Molecular weight
- 227.22
Names & synonyms
3-nitroazobenzeneRefChem:504464637-177-41-(3-nitrophenyl)-2-phenyldiazene4827-19-4NSC89009SCHEMBL1405402SCHEMBL1405403SCHEMBL5700852SCHEMBL5700857SCHEMBL11647997SCHEMBL11647998
Show more names
(E)-(3-nitrophenyl)(phenyl)diazene
NSC-89009AKOS004910172AKOS024340806
Database identifiers
- CAS
4827-19-4- PubChem CID
- 259274
- EC Number
- 637-177-4
- Nikkaji
- J1.250.334B、J3.540.243H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 376.568 · 376.568±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.238 · 1.238±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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