Basic information
- CAS
159925-41-4- Standard SMILES
CC(C)c1cc(Br)c2ncccc2c1- InChIKey
BOCLLRYLXAGRDJ-UHFFFAOYSA-N- Molecular formula
- C12H12BrN
- Average molar mass
- 250.13 g/mol
- Monoisotopic mass
- 249.01531
Names & identifiers
- Preferred name
- 8-Bromo-6-isopropyl-quinoline
- IUPAC
- 8-bromo-6-propan-2-ylquinoline
- English name
- 8-bromo-6-isopropylquinoline
- Molecular formula
- C12H12BrN
- Molecular weight
- 250.13
Names & synonyms
159925-41-48-bromo-6-isopropyl-quinoline8-bromo-6-propan-2-ylquinolineQuinoline, 8-bromo-6-(1-methylethyl)-8-bromo-6-isopropylquinoline6-isopropyl-8-BromoquinolineSCHEMBL1065843DTXSID00619070BOCLLRYLXAGRDJ-UHFFFAOYSA-N8-Bromo-6-(propan-2-yl)quinolineDA-09713
Database identifiers
- CAS
159925-41-4- PubChem CID
- 21865555
- DTXSID
DTXSID00619070
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 328.2 · 328.2±22.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 2.51 · 2.51±0.20(Predicted)
- color
- brown
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
13 records
Compound notes
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