Basic information
- CAS
25333-21-5- Standard SMILES
COC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
OTBMAATXBNOQHO-UHFFFAOYSA-N- Molecular formula
- C11H11Cl3O3
- Average molar mass
- 297.6 g/mol
- Monoisotopic mass
- 295.977377
Names & identifiers
- Preferred name
- Butyric acid, 4-(2,4,5-trichlorophenoxy)-, methyl ester
- IUPAC
- methyl 4-(2,4,5-trichlorophenoxy)butanoate
- English name
- 4-(2,4,5-Trichlorophenoxy)butanoic acid methyl ester
- Molecular formula
- C11H11Cl3O3
- Molecular weight
- 297.56
Names & synonyms
Methyl 4-(2,4,5-trichlorophenoxy)butanoateButyric acid, 4-(2,4,5-trichlorophenoxy)-, methyl esterButanoic acid, 4-(2,4,5-trichlorophenoxy)-, methyl ester25333-21-52,4,5-TB methyl ester4-(2,4,5-Trichlorophenoxy)butyric acid methyl esterDTXSID403342754-(2,4,5-TB) methyl esterOTBMAATXBNOQHO-UHFFFAOYSA-NAKOS005831538Methyl 4-(2,4,5-trichlorophenoxy)butyrate4-(2,4,5-Trichlorophenoxy)butanoic acid methyl ester
Database identifiers
- CAS
25333-21-5- PubChem CID
- 520193
- DTXSID
DTXSID40334275- Nikkaji
- J124.912F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 382.4 · 382.4±42.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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