6-Bromo-8-nitroquinoline
Basic information
- CAS
68527-67-3- Standard SMILES
O=[N+]([O-])c1cc(Br)cc2cccnc12- InChIKey
IANZBVIZZQFJPI-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O2
- Average molar mass
- 253.05 g/mol
- Monoisotopic mass
- 251.9534395
Names & identifiers
- Preferred name
- 6-Bromo-8-nitroquinoline
- IUPAC
- 6-bromo-8-nitroquinoline
- English name
- 6-bromo-8-nitroquinoline
- Molecular formula
- C9H5BrN2O2
- Molecular weight
- 253.05
Names & synonyms
6-Bromo-8-nitroquinolineQuinoline, 6-bromo-8-nitro-DTXSID1071610RefChem:307624DTXCID904607968527-67-3MFCD099078426-bromo-8-nitro-quinolineSCHEMBL6634465AKOS016003149s12229DS-16837
Show more names
SY111865DB-074038CS-0041422F224576
Database identifiers
- CAS
68527-67-3- PubChem CID
- 110463
- DTXSID
DTXSID1071610- Nikkaji
- J441.184F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 170 · 170-177 °C
- Boiling point
- 365.8 · 365.8±27.0 °C(Predicted)
- Density
- 1.747 · 1.747±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.41 · 0.41±0.20(Predicted)
- Appearance
- Yellow to brown Solid
- EPA Substance Registry System
- 6 · 6-Bromo-8-nitroquinoline (68527-67-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 6-bromo-8-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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