2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate

Basic Information

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CAS Number

99607-70-2

Molecular Formula

C18H22ClNO3

Molecular Weight

335.83 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

68.0 to 72.0 deg-C

Boiling Point

448.4 oC at 760 mmHg

Density

1.05

Flash Point

225 oC

Refractive Index

1.554

SMILES

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CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2

InChI

InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3

InChIKey

COYBRKAVBMYYSF-UHFFFAOYSA-N

LogP

4.779000000000004

Complexity

366

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Stability

Stable. Incompatible with strong oxidizing agents.

Toxicity

LD50 in rats (mg/kg): >2000 orally; >2000 dermally; LC50 (4 hr) in rats: >935 mg/m3 by inhalation (Amrein)

Synonyms & References

English

(+/-)-CLOQUINTOCET-MEXYL
HY-B2024
Cloquintocetmexyl
C2682
heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
2-Heptyl 2-[(5-Chloroquinolin-8-yl)oxy]acetate
Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester
1J-317S
Cloquintocet-mexyl, PESTANAL(R), analytical standard
[(1S)-1-methylhexyl] 2-[(5-chloro-8-quinolyl)oxy]acetate
Acetic acid, 2-((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester
heptan-2-yl 2-[(5-chloroquinolin-8-yl)oxy]acetate
J-521430
2-Heptyl 2-(5-Chloro-8-quinolinyloxy)acetate
EC 619-447-3
99W15EH2M3
DTXSID3041794
UNII-99W15EH2M3
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
CHEMBL3185510
H11935
CLOQUINTOCET 1-METHYLHEXYL ESTER
CHEBI:143155
CLOQUINTOCET-MEXYL, (+/-)-
A846051
(RS)-1-methylhexyl (5-chloroquinolin-8-yloxy)acetate
1-methylhexyl 2-[(5-chloro-8-quinolinyl)oxy]acetate
NCGC00255554-01
FT-0642401
Q2979582
AKOS005082550

MDL Number

MFCD01632329

Customs Code

2933499090

FAQ

What is 2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate (CAS: 99607-70-2)?

2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate is an organic compound with the CAS number 99607-70-2. It is a derivative of quinoline and contains a heptanyl group connected via an ester linkage. This compound is typically used in chemical synthesis and has properties that make it relevant in pharmaceutical and research applications. Its chemical formula is C15H16ClNO3, and it is a yellowish solid at room temperature with a molecular weight of approximately 289.75 g/mol.

What are the main uses of 2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate (CAS: 99607-70-2)?

2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate is primarily used in pharmaceutical research as a building block for drug development. It may also find applications in organic synthesis, agrochemicals, and materials science. Due to its structural versatility, it is a valuable compound in the synthesis of various derivatives with potential biological activity. Researchers often use it in the development of compounds targeting neurological and anti-inflammatory pathways.

Is 2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate (CAS: 99607-70-2) safe?

The safety of 2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate depends on its handling and exposure conditions. It is generally considered to have moderate toxicity and should be handled with care. Protective measures such as gloves, goggles, and proper ventilation are recommended. Safety standards for its use are typically outlined in chemical safety data sheets (SDS), and it is advised to follow guidelines for handling hazardous chemicals in laboratory and industrial settings.

How should 2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate (CAS: 99607-70-2) be stored?

2-Heptanyl [(5-chloro-8-quinolinyl)oxy]acetate should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Storage conditions should also prevent exposure to moisture and air, as these can affect the compound's integrity. Always store it in a fume hood or designated chemical storage area to ensure safety and prolong shelf life.