Triclopyr-ethyl
Basic information
- CAS
60825-27-6- Standard SMILES
CCOC(=O)COc1nc(Cl)c(Cl)cc1Cl- InChIKey
KXAVVWXJUDQGDA-UHFFFAOYSA-N- Molecular formula
- C9H8Cl3NO3
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 282.956976
Names & identifiers
- Preferred name
- Triclopyr-ethyl
- IUPAC
- ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
- English name
- Acetic acid, (3,5,6-trichloro-2-pyridinyl)oxy-, ethyl ester
- Molecular formula
- C9H8Cl3NO3
- Molecular weight
- 284.52
Names & synonyms
Triclopyr-ethylTriclopyr-ethyl [ISO]60825-27-649MZ2GXP46triclopyr ethyl esterAcetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, ethyl esterTRICLOPYR ETHYLAcetic acid, 2-((3,5,6-trichloro-2-pyridinyl)oxy)-, ethyl esterAcetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl esterETHYL 3,5,6-TRICHLORO-2-PYRIDYLOXYACETATEETHYL 2-((3,5,6-TRICHLORO-2-PYRIDINYL)OXY)ACETATEACETIC ACID, ((3,5,6-TRICHLORO-2-PYRIDYL)OXY)-, ETHYL ESTER
Show more names
ethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetateAcetic acid, (3,5,6-trichloro-2-pyridinyl)oxy-, ethyl ester
Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl esterRefChem:899277UNII-49MZ2GXP46Triclopyr, ethyl esterethyl 2-((3,5,6-trichloropyridin-2-yl)oxy)acetateSCHEMBL3231331DTXSID9041574NS00006887
Database identifiers
- CAS
60825-27-6- PubChem CID
- 3085207
- DTXSID
DTXSID9041574- UNII
- 49MZ2GXP46
- Nikkaji
- J1.581.741K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 328.3 · 328.3±37.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- -2.46 · -2.46±0.10(Predicted)
- Henry's Law Constant
- 4.5 · 4.5×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 49 MZ2GXP46 · 49MZ2GXP46
- EPA Substance Registry System
- 2 · Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl ester (60825-27-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Acetic acid, (3,5,6-trichloro-2-pyridinyl)oxy-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, ethyl ester: ACTIVE
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Related reactions
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Compound notes
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