Basic information
- CAS
25154-43-2- Standard SMILES
ClC1=C(Cl)C(Cl)C(Cl)=C1Cl- InChIKey
SPEJYXWMSKCTFT-UHFFFAOYSA-N- Molecular formula
- C5HCl5
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 235.852089
Names & identifiers
- Preferred name
- Pentachlorocyclopentadiene
- IUPAC
- 1,2,3,4,5-pentachlorocyclopenta-1,3-diene
- English name
- Pentachlorocyclopentadiene
- Molecular formula
- C5HCl5
- Molecular weight
- 238.33
Names & synonyms
Pentachlorocyclopentadiene1,2,3,4,5-pentachlorocyclopenta-1,3-diene1,2,3,4,5-PentachlorocyclopentadienePentachloro-2,4-cyclopentadien-1-ylBRN 19406511,3-Cyclopentadiene, 1,2,3,4,5-pentachloro-UNII-XJ9WB3883IXJ9WB3883I1,2,3,4,5-Pentachloro-1,3-cyclopentadieneJ72.731HCyclopentadiene, 1,2,3,4,5-pentachloro-DTXSID2024248
Show more names
1,2,3,4,5β-Pentachloro-1,3-cyclopentadieneCyclopentadiene, 1,2,3,4,5-pentachloro- (6ci,7ci)
4-05-00-00380 (Beilstein Handbook Reference)1,2,3,4,5-PENTACHLORO-2,4-CYCLOPENTADIENE25154-43-21,2,3,4,5.BETA.-PENTACHLORO-1,3-CYCLOPENTADIENERefChem:171306DTXCID2042481,2,3,4,5BETA-PENTACHLORO-1,3-CYCLOPENTADIENECyclopentadiene, 1,2,3,4,5-pentachloro-(6CI,7CI)
Database identifiers
- CAS
25154-43-2、25329-35-5- PubChem CID
- 73666
- DTXSID
DTXSID2024248- UNII
- XJ9WB3883I
- Nikkaji
- J72.731H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesPesticide -> EPA IRIS
Physicochemical properties
- Melting point
- 90 · 90-94 °C
- Boiling point
- 310.04 °C · 310.04°C (rough estimate)
- Density
- 1.8229 · 1.8229 (rough estimate)
- refractive index
- 1.546 · 1.5460 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 WB3883I · XJ9WB3883I
- EPA Substance Registry System
- 1 · 1,2,3,4,5-Pentachlorocyclopentadiene (25329-35-5)
- Toxicity
- 100 mg/plate · mmo-sat 100 mg/plate CNJGA8 24,437,82
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 InformationPentachlorocyclopentadiene
Safety data
- Toxicity
- mmo-sat 100 mg/plate CNJGA8 24,437,82
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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