Basic information
- CAS
3200-96-2- Standard SMILES
O=C1C(Cl)=C(Cl)C1(Cl)Cl- InChIKey
NWDONRNKYCKRNT-UHFFFAOYSA-N- Molecular formula
- C4Cl4O
- Average molar mass
- 205.8 g/mol
- Monoisotopic mass
- 203.87032534
Names & identifiers
- Preferred name
- 2,3,4,4-Tetrachloro-2-cyclobuten-1-one
- IUPAC
- 2,3,4,4-tetrachlorocyclobut-2-en-1-one
- English name
- tetrachlorocyclobut-2-enone
- Molecular formula
- C4Cl4O
- Molecular weight
- 205.85
Names & synonyms
3200-96-2Tetrachloro-2-cyclobutene-1-one2,3,4,4-Tetrachloro-2-cyclobuten-1-oneTCCBODTXSID30185834RefChem:896808DTXCID70108325221-704-6PerchlorocyclobutenoneTetrachlorocyclobutenone2,3,4,4-tetrachlorocyclobut-2-en-1-onePerchlorocyclobut-2-enone
Show more names
1,2,3,3-Tetrachloro-1-cyclobutene-4-one
Tetrachlorocyclobut-2-enonePerchloro-2-cyclobuten-1-onePerchloro-2-cyclobutene-1-one2-CYCLOBUTEN-1-ONE, 2,3,4,4-TETRACHLORO-2,3,4,4-tetrachloro-cyclobut-2-en-1-oneNSC-125696EINECS 221-704-6NSC 125696
Database identifiers
- CAS
3200-96-2- PubChem CID
- 18545
- DTXSID
DTXSID30185834- UNII
- S5NP67JG9U
- EC Number
- 221-704-6
- Nikkaji
- J33.999G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 38.4 °C · 38.4°C (rough estimate)
- Density
- 1.7098 · 1.7098 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
7 records
Compound notes
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