Basic information
- CAS
7508-99-8- Standard SMILES
O=C1C=CC(=O)N1c1cccc(F)c1- InChIKey
JIOMRSWAMNOWRQ-UHFFFAOYSA-N- Molecular formula
- C10H6FNO2
- Average molar mass
- 191.16 g/mol
- Monoisotopic mass
- 191.0382566
Names & identifiers
- Preferred name
- 1-(3-Fluorophenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(3-fluorophenyl)pyrrole-2,5-dione
- English name
- 1-(3-Fluorophenyl)-1H-pyrrole-2,5-dione
- Molecular formula
- C10H6FNO2
- Molecular weight
- 191.16
Names & synonyms
1-(3-Fluorophenyl)-1H-pyrrole-2,5-dione7508-99-8N-(3-Fluoro-phenyl)maleimide1-(3-fluorophenyl)pyrrole-2,5-dioneCHEMBL5743581H-Pyrrole-2,5-dione, 1-(3-fluorophenyl)-1-(3-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneNSC407165N-(3-Fluorphenyl)-maleimid1-(3-Fluorophenyl)maleimideSCHEMBL12462984SCHEMBL30940220
Show more names
AKOS MSC-00282,4-diacetyl-3-(3-methoxy-4-propoxyphenyl)pentanedioic acid diethyl ester
DTXSID30226059BDBM50300328EBC-06348MFCD00175381SBB091262STK6118201-(3-fluorophenyl)azoline-2,5-dioneAKOS000249660
Database identifiers
- CAS
7508-99-8- PubChem CID
- 101342
- DTXSID
DTXSID30226059- ChEMBL
CHEMBL574358- Nikkaji
- J393.653H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 61 · 61-62 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 315 · 315.0±25.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- -1.88 · -1.88±0.20(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- 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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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