1-(4-(1H-Pyrrol-1-yl)phenyl)ethanone
Basic information
- CAS
22106-37-2- Standard SMILES
CC(=O)c1ccc(-n2cccc2)cc1- InChIKey
DXDGPUOOPJCGOL-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 1-(4-(1H-Pyrrol-1-yl)phenyl)ethanone
- IUPAC
- 1-(4-pyrrol-1-ylphenyl)ethanone
- English name
- 1-(4-PYRROL-1-YL-PHENYL)-ETHANONE
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
22106-37-21-[4-(1H-Pyrrol-1-yl)phenyl]ethanone1-(4-(1H-pyrrol-1-yl)phenyl)ethanoneDTXSID70345339RefChem:1054241DTXCID702964131-[4-(1h-pyrrol-1-yl)phenyl]-1-ethanone1-(4-pyrrol-1-ylphenyl)ethanoneMFCD025720181-(4-Pyrrol-1-yl-phenyl)-ethanone1-[4-(1h-pyrrol-1-yl)phenyl]ethan-1-one1-[4-(pyrrol-1-yl)phenyl]ethanone
Show more names
AKOS B016275ART-CHEM-BB B0162751-[4-(1-pyrrolyl)phenyl]ethanoneEthanone, 1-[4-(1H-pyrrol-1-yl)phenyl]-
1-acetyl-4-pyrrolylbenzene1-(4-(1H-pyrrol-1-yl)phenyl)ethan-1-oneN-(4-Acetylphenyl)pyrrole4'-(1-Pyrroyl)acetophenoneAN-648/40769972SCHEMBL2241437DXDGPUOOPJCGOL-UHFFFAOYSA-N1-acetyl-4-(pyrrol-1-yl)benzene
Database identifiers
- CAS
22106-37-2- PubChem CID
- 603839
- DTXSID
DTXSID70345339- Nikkaji
- J648.454I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 120 · 120-122 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 320.8 · 320.8±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- -5.67 · -5.67±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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