Methanone, di-1H-pyrrol-2-yl-
Basic information
- CAS
15770-21-5- Standard SMILES
O=C(n1cccc1)n1cccc1- InChIKey
AVDNGGJZZVTQNA-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- Methanone, di-1H-pyrrol-2-yl-
- IUPAC
- di(pyrrol-1-yl)methanone
- English name
- 1H-Pyrrole,1,1-carbonylbis-(9CI)
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
Dipyrrol-2-yl ketoneDi-1H-pyrrol-2-yl ketoneKetone, di-1H-2-pyrrolylNSC 81355BRN 00052165-24-03-00245 (Beilstein Handbook Reference)RefChem:352788Methanone, di-1H-pyrrol-2-yl-(9CI)15770-21-5Methanone, di-1H-pyrrol-2-yl-Di(1H-pyrrol-1-yl)methanone54582-33-1
Show more names
1H-Pyrrole,1,1-carbonylbis-(9CI)
1-(1H-pyrrole-1-carbonyl)-1H-pyrroleN,N'-carbonylbisazole2,2-Dipyrrolyl ketone1,1'-Carbonyldipyrroledi-1H-pyrrol-1-ylmethanoneSCHEMBL5252209Z3N6NAS92Methanone, di-1H-pyrrol-1-yl-
Database identifiers
- CAS
15770-21-5、54582-33-1- PubChem CID
- 27478
- UNII
- 9Z3N6NAS92
- Nikkaji
- J1.814.885D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 160 · 160-161 °C (sublm)
- Boiling point
- 78 · 78-81 °C(Press: 1 Torr)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- -7.1 · -7.10±0.70(Predicted)
- FDA UNII
- 9 Z3N6NAS92 · 9Z3N6NAS92
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · 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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…