2-(4-Bromophenyl)-1H-imidazo(4,5-B)phenazine
Basic information
- CAS
114991-80-9- Standard SMILES
Brc1ccc(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)cc1- InChIKey
BFMIKRSRHQYYLC-UHFFFAOYSA-N- Molecular formula
- C19H11BrN4
- Average molar mass
- 375.2 g/mol
- Monoisotopic mass
- 374.01671
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1H-imidazo(4,5-B)phenazine
- IUPAC
- 2-(4-bromophenyl)-10H-imidazo[4,5-b]phenazine
- English name
- 14-(4-bromophenyl)-2,9,13,15-tetraazatetracyclo[8.7.0.0^{3,8}.0^{12,16}]heptadeca-1,3(8),4,6,9,11,13,16-octaene
- Molecular formula
- C19H11BrN4
- Molecular weight
- 375.22
Names & synonyms
2-(4-bromophenyl)-1H-imidazo[4,5-b]phenazine114991-80-92-(4-BROMOPHENYL)-1H-IMIDAZO(4,5-B)PHENAZINERefChem:457058663-909-7AKOS0244239111H-Imidazo[4,5-b]phenazine, 2-(4-bromophenyl)-14-(4-bromophenyl)-2,9,13,15-tetraazatetracyclo[8.7.0.0^{3,8}.0^{12,16}]heptadeca-1,3(8),4,6,9,11,13,16-octaene
Database identifiers
- CAS
114991-80-9- PubChem CID
- 4435754
- EC Number
- 663-909-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 707
Physicochemical properties
- Melting point
- 360 °C · >360 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 626.1 · 626.1±53.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- pka
- 7.91 · 7.91±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H413-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- H315-H302-H319-H413-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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