9-Nitroacenaphtho(1,2-b)quinoxaline
Basic information
- CAS
134859-12-4- Standard SMILES
O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12- InChIKey
VYNABXPWCQGLHT-UHFFFAOYSA-N- Molecular formula
- C18H9N3O2
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.06947654
Names & identifiers
- Preferred name
- 9-Nitroacenaphtho(1,2-b)quinoxaline
- IUPAC
- 9-nitroacenaphthyleno[1,2-b]quinoxaline
- English name
- 9-nitroacenaphthyleno[1,2-b]quinoxaline
- Molecular formula
- C18H9N3O2
- Molecular weight
- 299.28
Names & synonyms
9-nitroacenaphtho[1,2-b]quinoxaline9-NITROACENAPHTHO(1,2-B)QUINOXALINERefChem:549480654-587-9134859-12-49-nitroacenaphthyleno[1,2-b]quinoxalineNSC 163379NSC163379Acenaphtho[1, 9-nitro-CBDivE_010071CHEMBL3217889HMS3752A05
Show more names
Acenaphtho[1,2-b]quinoxaline, 9-nitro-7-Nitro-3,10-Diazapentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{16,20}]Icosa-1(20),2,4(9),5,7,10,12,14,16,18-decaene
EBC-06090STK862841AKOS000733180NSC-163379ST003004EN300-18205510Z55723204
Database identifiers
- CAS
134859-12-4- PubChem CID
- 294576
- ChEMBL
CHEMBL3217889- EC Number
- 654-587-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: ethanol (64-17-5))
- Boiling point
- 568.5 · 568.5±30.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H315-H318-H335-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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