Basic information
- CAS
15770-21-5- Standard SMILES
O=C(c1ccc[nH]1)c1ccc[nH]1- InChIKey
DKEKURXRUXRNES-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 2-(1H-pyrrole-2-carbonyl)-1H-pyrrole
- IUPAC
- bis(1H-pyrrol-2-yl)methanone
- English name
- Methanone,di-1H-pyrrol-2-yl-
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
di-1H-pyrrol-2-ylmethanone2-(1H-PYRROLE-2-CARBONYL)-1H-PYRROLERefChem:451539989-521-0di(1H-pyrrol-2-yl)methanonebis(1H-pyrrol-2-yl)methanone2,2'-DIPYRROLYLKETONE5-dipyrrylketoneMFCD01686800di(2-pyrrolyl) ketoneNSC81355SCHEMBL371069
Show more names
Methanone, di-2,2'-dipyrrolylketone
DTXSID80935780CCG-40443AKOS006279283CS-0136212Methanone,di-1H-pyrrol-2-yl-pyrryl ketonedi-1H-pyrrol-2-yl-MethanoneWLN: T5MJ BV- BT5MJ
Database identifiers
- CAS
15770-21-5- PubChem CID
- 255663
- DTXSID
DTXSID80935780- Nikkaji
- J14.771K、J3.236.855G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 286.07 °C · 286.07°C (rough estimate)
- Density
- 1.1846 · 1.1846 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 14.96 · 14.96±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 15770 · 15770-21-5
Chemistry & industry
Applications
UsesMethanone, di-1H-pyrrol-2-yl-, is a chemical intermediate reagent used in the preparation of an ion-polymer catalytic material or lithium-ion battery electrolyte.
Suppliers43 total
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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