2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

Basic Information

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CAS Number

81406-37-3

Molecular Formula

C15H21Cl2FN2O3

Molecular Weight

367.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

56.0 to 60.0 deg-C

Boiling Point

431.9 °C at 760 mmHg

Density

1.268±0.06 g/cm3(Predicted)

Flash Point

215 °C

Refractive Index

1.523

SMILES

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CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F

InChI

InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)

InChIKey

OLZQTUCTGLHFTQ-UHFFFAOYSA-N

LogP

4.390600000000003

Topological Polar Surface Area

74.44 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

366

Safety Information

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Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

UNII-9W47M4YJ3Q
MFCD00144318
HY-136371
Fluroxypyr 1-methylheptyl ester
81406-37-3
Fluroxypyr-(1-methylheptyl)
Fluroxypyr methylheptyl ester
DTXSID5034303
FLUROXYPYR 1-METHYLHEPTYL ESTER [MI]
Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester
1-methylheptyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetate
1-Methylheptyl (4-amino-3,5-dichloro-6-fluoro-2-pyridyloxy)acetate
AS-15363
A836460
1-Methylheptyl ((4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy)acetate
FT-0630892
D90700
W-104211
Starane 2
Tox21_300897
2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
Fluroxypyr-meptyl
octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yloxy)acetate
Fluroxypyr-1-methylheptyl ester
DTXCID3014303
SCHEMBL161697
Fluroxypyr-1-methylheptyl ester, PESTANAL(R), analytical standard
Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester
Fluroxypyr methyl heptyl
octan-2-yl 2-[4-azanyl-3,5-bis(chloranyl)-6-fluoranyl-pyridin-2-yl]oxyethanoate
Dowco 433

MDL Number

MFCD00144318

FAQ

What are the physical and chemical properties of 2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CAS: 81406-37-3)?

2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is a crystalline compound with a molecular weight of approximately 434.1 g/mol. It has limited solubility in water but is more soluble in organic solvents. Chemically, it exhibits limited reactivity, with mild basic properties due to the amino group. It is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.

How is 2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CAS: 81406-37-3) typically synthesized?

2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is typically synthesized via a multistep reaction involving the coupling of a 2-pyridine derivative with 2-octanoyl chloride. The process involves the use of an appropriate base and catalyst to achieve high selectivity and yield. The final product is purified by recrystallization from a suitable solvent.

What industries use 2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CAS: 81406-37-3)?

2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate finds applications in the pharmaceutical industry for its potential as an intermediate in the synthesis of bioactive compounds. It is also used in the development of sensors and as a precursor in the semiconductor industry due to its unique chemical properties.

What precautions should be taken when handling 2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CAS: 81406-37-3)?

When handling 2-Octanyl [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a fume hood to prevent inhalation and handle it in a well-ventilated area. In case of a spill, immediately clean it up with appropriate absorbent material and follow the safety data sheet (SDS) for further instructions. Keep the compound away from heat and ignition sources to avoid potential hazards.