Basic information
- CAS
18514-76-6- Standard SMILES
O=[N+]([O-])c1cccc2nccnc12- InChIKey
WZBOWHSZOCPDMB-UHFFFAOYSA-N- Molecular formula
- C8H5N3O2
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.0381764
Names & identifiers
- Preferred name
- Quinoxaline, 5-nitro-
- IUPAC
- 5-nitroquinoxaline
- English name
- 5-Nitroquinoxaline
- Molecular formula
- C8H5N3O2
- Molecular weight
- 175.14
Names & synonyms
5-NitroquinoxalineQuinoxaline, 5-nitro-NSC 128768BRN 0145468DTXSID801717225-23-07-00148 (Beilstein Handbook Reference)RefChem:178345DTXCID2094213InChI=1/C8H5N3O2/c12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-518514-76-6MFCD01684951YDZ6TV2TNM
Show more names
NSC-1287685-nitro-quinoxalin5-nitro-quinoxalineNSC128768UNII-YDZ6TV2TNMSCHEMBL5260391WZBOWHSZOCPDMB-UHFFFAOYSA-NAKOS006278188
Database identifiers
- CAS
18514-76-6- PubChem CID
- 97512
- DTXSID
DTXSID80171722- UNII
- YDZ6TV2TNM
- Nikkaji
- J59.560H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 90 · 90-92℃
- Boiling point
- 329 ℃ · 329℃
- Density
- 1.437 · 1.437
- Flash point
- 153 ℃ · 153℃
- storage temp.
- 2 · 2-8°C
- pka
- -2.09 · -2.09±0.30(Predicted)
- FDA UNII
- 6 TV2TNM · YDZ6TV2TNM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers32 total
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Related reactions
5 records
Compound notes
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