2,2-Bis(trifluoromethyl)tetrachloro-1,3-dioxolane
Basic information
- CAS
64499-81-6- Standard SMILES
FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1- InChIKey
RSNKMTZZWVFGES-UHFFFAOYSA-N- Molecular formula
- C5Cl4F6O2
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 345.855659
Names & identifiers
- Preferred name
- 2,2-Bis(trifluoromethyl)tetrachloro-1,3-dioxolane
- IUPAC
- 4,4,5,5-tetrachloro-2,2-bis(trifluoromethyl)-1,3-dioxolane
- English name
- Dioxolane416
- Molecular formula
- C5Cl4F6O2
- Molecular weight
- 347.85
Names & synonyms
2,2-Bis(trifluoromethyl)tetrachloro-1,3-dioxolane64499-81-64,4,5,5-Tetrachloro-2,2-bis(trifluoromethyl)-1,3-dioxolaneMFCD16619610NSC659212DIOXOLANE416C5Cl4F6O2SCHEMBL9193872CHEMBL2006278RSNKMTZZWVFGES-UHFFFAOYSA-NAKOS008901209NSC-659212
Show more names
1,3-Dioxolane, 4,4,5,5-tetrachloro-2,2-bis(trifluoromethyl)-
MS-20521NCI60_020873
Database identifiers
- CAS
64499-81-6- PubChem CID
- 377633
- ChEMBL
CHEMBL2006278- EC Number
- 807-566-5
- Nikkaji
- J1.596.728E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 198.5 · 198.5±40.0 °C(Predicted)
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- form
- liquid
- color
- Clear, colourless
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H226
- Precautionary statements
- 260 · P260-P210-P280
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H331 (100%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H302+H312+H332-H226
- Precautionary statements
- P260-P210-P280
Suppliers
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Related reactions
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Compound notes
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