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Home> Hot Product Listed 1   > 1-Vinyl-1H-pyrrole-2,5-dione
11032-49-8 structure

1-Vinyl-1H-pyrrole-2,5-dione

CAS No.:11032-49-8
Molecular Weight:308.41406
Molecular Formula:C35H26N6O14S3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
Canonical Smiles
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)C
Isomers Smiles
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC=C(C)C
Properties
Boiling Point
514.8°C at 760 mmHg
Vapour
3.06E-08mmHg at 25°C
Refractive Index
1.548
Safety and Handling
Safety Statements
22-24/25-37/39-26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 11032-49-8 EC: 1-Vinyl-1H-pyrrole-2,5-dione ·ECHA C&L Inventory for CAS: CAS: 11032-49-8 EC: 1-Vinyl-1H-pyrrole-2,5-dione
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:308.41406g/mol
  • Molecular Formula:C35H26N6O14S3
  • XLogP3-AA:5.2
  • Exact Mass:308.17763
  • Monoisotopic Mass:308.17763
  • Complexity:571
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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