2-bromo-1-(1H-pyrrol-2-yl)ethanone
Basic information
- CAS
73742-16-2- Standard SMILES
O=C(CBr)c1ccc[nH]1- InChIKey
LNXJNRIRUXVBHU-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO
- Average molar mass
- 188.02 g/mol
- Monoisotopic mass
- 186.96328
Names & identifiers
- Preferred name
- 2-bromo-1-(1H-pyrrol-2-yl)ethanone
- IUPAC
- 2-bromo-1-(1H-pyrrol-2-yl)ethanone
- English name
- Ethanone, 2-bromo-1-(1H-pyrrol-2-yl)- (9CI)
- Molecular formula
- C6H6BrNO
- Molecular weight
- 188.02
Names & synonyms
2-bromo-1-(1H-pyrrol-2-yl)ethanone73742-16-2ethanone, 2-bromo-1-(1H-pyrrol-2-yl)-DTXSID00348717RefChem:256771DTXCID90299789InChI=1/C6H6BrNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2-BROMO-1-(1H-PYRROL-2-YL)-ETHANONE2-bromo-1-(1H-pyrrol-2-yl)ethan-1-oneEthanone, 2-bromo-1-(1H-pyrrol-2-yl)- (9CI)MFCD111824022-Bromo-1-(2-pyrrolyl)ethanone
Show more names
2-(Bromoacetyl)pyrroleSCHEMBL6345873LNXJNRIRUXVBHU-UHFFFAOYSA-NAKOS009316717AKOS025395124SB62126AS-76643SY059697
Database identifiers
- CAS
73742-16-2- PubChem CID
- 640309
- DTXSID
DTXSID00348717- Nikkaji
- J1.076.230H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 277 ℃ · 277℃
- Density
- 1.671 · 1.671
- Flash point
- 122 ℃ · 122℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.76 · 14.76±0.50(Predicted)
- InChI
- InChI=1S/C6H6BrNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
- InChIKey
- LNXJNRIRUXVBHU-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CN1)CBr
- 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
6 records
Compound notes
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