3-Bromo-acenaphtho(1,2-B)quinoxaline
Basic information
- CAS
151447-45-9- Standard SMILES
Brc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2- InChIKey
HWGCZFYFWKIEAK-UHFFFAOYSA-N- Molecular formula
- C18H9BrN2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 331.99491
Names & identifiers
- Preferred name
- 3-Bromo-acenaphtho(1,2-B)quinoxaline
- IUPAC
- 3-bromoacenaphthyleno[1,2-b]quinoxaline
- English name
- 3-bromoacenaphtho[1,2-b]quinoxaline
- Molecular formula
- C18H9BrN2
- Molecular weight
- 333.18
Names & synonyms
3-Bromo-acenaphtho[1,2-b]quinoxaline3-bromo-acenaphtho(1,2-b)quinoxalineRefChem:499163683-457-43-bromoacenaphtho[1,2-b]quinoxaline151447-45-93-bromoacenaphthyleno[1,2-b]quinoxalineCHEMBL3217888SCHEMBL16573677SCHEMBL30991501HMS3754C09STK388551
Show more names
Acenaphtho[1,2-b]quinoxaline, 3-bromo-3-bromo-7,12-dihydroacenaphthyleno[1,2-b]quinoxaline
AKOS000733268ST45097940SR-01000388222SR-01000388222-1
Database identifiers
- CAS
151447-45-9- PubChem CID
- 787246
- ChEMBL
CHEMBL3217888- EC Number
- 683-457-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 276 · 276-277 °C
- Boiling point
- 534.7 · 534.7±30.0 °C(Predicted)
- Density
- 1.676 · 1.676±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H301-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-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
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-H301-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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