2-Bromo-1H-indole-3-carboxaldehyde
Basic information
- CAS
119910-45-1- Standard SMILES
O=Cc1c(Br)[nH]c2ccccc12- InChIKey
WIRLVLFYTTULCM-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO
- Average molar mass
- 224.05 g/mol
- Monoisotopic mass
- 222.96328
Overview
2-Bromo-1H-indole-3-carboxaldehyde is a member of indoles.
Names & identifiers
- Preferred name
- 2-Bromo-1H-indole-3-carboxaldehyde
- IUPAC
- 2-bromo-1H-indole-3-carbaldehyde
- English name
- 2-BroMo-1H-indole-3-carbaldehyde
- Molecular formula
- C9H6BrNO
- Molecular weight
- 224.05
Names & synonyms
2-bromo-1H-indole-3-carbaldehyde2-bromo-1h-indole-3-carboxaldehydeDTXSID70326926RefChem:256934DTXCID90278039119910-45-11H-Indole-3-carboxaldehyde, 2-bromo-MFCD184498742-bromoindole-3-carbaldehydeNSC6221632-bromo-3-formylindol3-formyl-2-bromoindole
Show more names
NSC 6221632-bromo-1H-indole-3-carbaldehyde - [B71605]
2-Bromo-3-formylindoleSCHEMBL686478GD87MMC686Gbetagamma Modulator I, M119CHEMBL2005415SCHEMBL29363263CHEBI:179580WIRLVLFYTTULCM-UHFFFAOYSA-N
Database identifiers
- CAS
119910-45-1- PubChem CID
- 360191
- DTXSID
DTXSID70326926- ChEMBL
CHEMBL2005415- ChEBI
CHEBI:179580- UNII
- GD87MMC686
- Nikkaji
- J1.332.150G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 230 ℃ · 230℃ (ethanol water )
- Boiling point
- 385.2 · 385.2±22.0 °C(Predicted)
- Density
- 1.727 · 1.727±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 13.84 · 13.84±0.30(Predicted)
- Appearance
- White to light brown Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 2-Bromo-1H-indole-3-carboxaldehyde is a member of indoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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