Basic information
- CAS
41851-50-7- Standard SMILES
ClC1C=CC=C1- InChIKey
GWHRPSOIZQENQQ-UHFFFAOYSA-N- Molecular formula
- C5H5Cl
- Average molar mass
- 100.54 g/mol
- Monoisotopic mass
- 100.0079779
Names & identifiers
- Preferred name
- 5-Chloro-1,3-cyclopentadiene
- IUPAC
- 5-chlorocyclopenta-1,3-diene
- English name
- Chlorocyclopentadiene
- Molecular formula
- C5H5Cl
- Molecular weight
- 100.55
Names & synonyms
5-CHLORO-1,3-CYCLOPENTADIENE5-ChlorocyclopentadieneChlorocyclopentadiene1,3-Cyclopentadiene, 5-chloro-PGO3A4LU2RUNII-PGO3A4LU2RDTXSID4023967RefChem:102265DTXCID70396741851-50-75-chlorocyclopenta-1,3-dieneSCHEMBL2699492
Show more names
SCHEMBL10586863NS00121772Q27888018
Database identifiers
- CAS
41851-50-7- PubChem CID
- 39041
- DTXSID
DTXSID4023967- UNII
- PGO3A4LU2R
- Nikkaji
- J648.792K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 80.1
Experimental & physicochemical properties
PesticidesPesticide -> EPA IRIS
Physicochemical properties
- Boiling point
- 129 · 129.0±9.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- FDA UNII
- 3 A4LU2R · PGO3A4LU2R
- EPA Substance Registry System
- 5 · 5-Chlorocyclopentadiene (41851-50-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
EPA IRIS InformationChlorocyclopentadiene
Chemistry & industry
Suppliers1 total
Portail Substances Chimiques[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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