Basic information
- CAS
25056-70-6- Standard SMILES
O=C(OCCOc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl- InChIKey
FFRUQSUMDFNBLG-UHFFFAOYSA-N- Molecular formula
- C10H6Cl6O3
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 383.84481
Names & identifiers
- Preferred name
- Acetic acid, trichloro-, 2-(2,4,5-trichlorophenoxy)ethyl ester
- IUPAC
- 2-(2,4,5-trichlorophenoxy)ethyl 2,2,2-trichloroacetate
- English name
- HEXANATE
- Molecular formula
- C10H6Cl6O3
- Molecular weight
- 386.87
Names & synonyms
25056-70-6ACETIC ACID, TRICHLORO-, 2-(2,4,5-TRICHLOROPHENOXY)ETHYL ESTERRefChem:1075847Hexanate2-(2,4,5-Trichlorophenoxy)ethyl trichloroacetateBRN 3416094Trichloroacetic acid 2-(2,4,5-trichlorophenoxy)ethyl ester2,4,5-Trichlorophenoxyethyl-alpha,alpha,alpha-trichloroacetate2-(2,4,5-Trichlorfenoxy)ethylester kyseliny trichloroctove [Czech]4-06-00-00965 (Beilstein Handbook Reference)2-(2,4,5-Trichlorfenoxy)ethylester kyseliny trichloroctoveDTXSID10947912
Show more names
2-(2,4,5-Trichlorophenoxy)ethyl=trichloroacetateAcetic acid, 2,2,2-trichloro-, 2-(2,4,5-trichlorophenoxy)ethyl ester
Database identifiers
- CAS
25056-70-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 406.3 · 406.3±40.0 °C(Predicted)
- Density
- 1.6293 · 1.6293 (estimate)
- Toxicity
- 50 unr-rat: · LD50 unr-rat: 2090 mg/kg HYSAAV 34,174,69
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 unr-rat: 2090 mg/kg HYSAAV 34,174,69
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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