2,2,2-Trichloroethyl 2,2,2-trichloroacetate
Basic information
- CAS
13686-37-8- Standard SMILES
O=C(OCC(Cl)(Cl)Cl)C(Cl)(Cl)Cl- InChIKey
OVWJHIPCOQWHEU-UHFFFAOYSA-N- Molecular formula
- C4H2Cl6O2
- Average molar mass
- 294.8 g/mol
- Monoisotopic mass
- 291.818595
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl 2,2,2-trichloroacetate
- IUPAC
- 2,2,2-trichloroethyl 2,2,2-trichloroacetate
- English name
- 2,2,2-trichloroethyl 2,2,2-trichloroacetate
- Molecular formula
- C4H2Cl6O2
- Molecular weight
- 294.78
Names & synonyms
2,2,2-trichloroethyl 2,2,2-trichloroacetateRefChem:440402996-523-513686-37-8Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester2,2,2-trichloroethyl trichloroacetateNSC23192SCHEMBL986625DTXSID70281829NSC-23192Trichloroethyl trichloroacetateAcetic acid, 2,2,2-trichloro-, 2,2,2-trichloroethyl ester
Database identifiers
- CAS
13686-37-8- PubChem CID
- 229470
- DTXSID
DTXSID70281829- EC Number
- 996-523-5
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 24 · 24-25 °C
- Boiling point
- 109 °C · 109 °C(Press: 10 Torr)
- Density
- 1.77 · 1.770±0.06 g/cm3(Predicted)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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