8-Bromoquinoline-2-carbaldehyde
Basic information
- CAS
904886-25-5- Standard SMILES
O=Cc1ccc2cccc(Br)c2n1- InChIKey
AFDUIUOATSXDFH-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO
- Average molar mass
- 236.06 g/mol
- Monoisotopic mass
- 234.96328
Names & identifiers
- Preferred name
- 8-Bromoquinoline-2-carbaldehyde
- IUPAC
- 8-bromoquinoline-2-carbaldehyde
- English name
- 8-broMoquinoline-2-carbaldehyde
- Molecular formula
- C10H6BrNO
- Molecular weight
- 236.06
Names & synonyms
8-BROMOQUINOLINE-2-CARBALDEHYDE904886-25-5MFCD068241772-Quinolinecarboxaldehyde, 8-bromo-SCHEMBL339548DTXSID90653180AFDUIUOATSXDFH-UHFFFAOYSA-NELB88625AKOS015940273SB71784AS-41326SY258395
Show more names
DB-118896CS-0171479EN300-3062442F305748Z1269220594
Database identifiers
- CAS
904886-25-5- PubChem CID
- 36688019
- DTXSID
DTXSID90653180- Nikkaji
- J2.718.699H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 370.7 · 370.7±22.0 °C(Predicted)
- Density
- 1.632 · 1.632±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.99 · 0.99±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- 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
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Related reactions
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Compound notes
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