6-Methoxyquinoxaline
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Basic information
- CAS
6639-82-3- Standard SMILES
COc1ccc2nccnc2c1- InChIKey
BURIFIXTNVTJJN-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 6-Methoxyquinoxaline
- IUPAC
- 6-methoxyquinoxaline
- English name
- 6-METHOXYQUINOXALINE
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
6-methoxyquinoxalineDTXSID50287102RefChem:543747DTXCID50238250802-039-66639-82-3Quinoxaline, 6-methoxy-MFCD00666601NSC489446-Methoxy-1,4-benzodiazineSCHEMBL622115SCHEMBL7040872
Show more names
SCHEMBL7959416SCHEMBL29550130NSC-48944AKOS005256194CS-W000649AS-41589SY106808DB-296624
Database identifiers
- CAS
6639-82-3- PubChem CID
- 241501
- DTXSID
DTXSID50287102- EC Number
- 802-039-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 58.9 °C · 58.9°C
- Boiling point
- 286.07 °C · 286.07°C (rough estimate)
- Density
- 1.1846 · 1.1846 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 1.22 · 1.22±0.30(Predicted)
- Appearance
- Off-white to brown Solid
- CAS DataBase Reference
- 6639 · 6639-82-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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