Basic information
- CAS
120-39-8- Standard SMILES
CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
BNANYJKQNHOIPC-UHFFFAOYSA-N- Molecular formula
- C13H15Cl3O3
- Average molar mass
- 325.6 g/mol
- Monoisotopic mass
- 324.008677
Names & identifiers
- Preferred name
- 2,4,5-T-pentyl
- IUPAC
- pentyl 2-(2,4,5-trichlorophenoxy)acetate
- English name
- pentyl (2,4,5-trichlorophenoxy)acetate
- Molecular formula
- C13H15Cl3O3
- Molecular weight
- 325.6154
Names & synonyms
2,4,5-T-pentylTrifenoxTormona 80Trifenox 80120-39-82,4,5-T amyl esterCaswell No. 881M2,4,5-T-pentyl [ISO]Amyl 2,4,5-trichlorophenoxyacetateEINECS 204-392-6EPA Pesticide Chemical Code 082051NSC 122031
Show more names
2,4,5-T n-amyl esterpentyl (2,4,5-trichlorophenoxy)acetate2,4,5-Trichlorophenoxyacetic acid pentyl(2,4,5-TRICHLOROPHENOXY)ACETICACID,PENTYLESTERAcetic acid, 2-(2,4,5-trichlorophenoxy)-, pentyl ester
UNII-943S42HO0JBRN 2294164943S42HO0J(2,4,5-Trichlorophenoxy)acetic acid, amyl esterNSC-122031(2,4,5-Trichlorophenoxy)acetic acid phentyl esterAcetic acid, (2,4,5-trichlorophenoxy)-, pentyl esterDTXSID2041331
Database identifiers
- CAS
120-39-8- PubChem CID
- 8429
- DTXSID
DTXSID2041331- UNII
- 943S42HO0J
- EC Number
- 204-392-6
- Nikkaji
- J5.325B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 441.45 °C · 441.45°C (rough estimate)
- Density
- 1.3219 · 1.3219 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- FDA UNII
- 943 S42HO0J · 943S42HO0J
- EPA Substance Registry System
- 2 · 2,4,5-T amyl ester (120-39-8)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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