2,6-Dibromo-4-cyanophenyl octanoate

Basic Information

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CAS Number

1689-99-2

Molecular Formula

C15H17Br2NO2

Molecular Weight

392.13 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

45-46 ºC

Boiling Point

424.6ºC at 760 mmHg

Flash Point

210.6ºC

Refractive Index

1.6220 (estimate)

SMILES

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CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N

InChI

InChI=1S/C15H20Br2O2/c1-3-4-5-6-7-8-14(18)19-15-12(16)9-11(2)10-13(15)17/h9-10H,3-8H2,1-2H3

InChIKey

GNGNVMCDZXZXQP-UHFFFAOYSA-N

LogP

5.785920000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

341

Safety Information

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GHS Hazard Pictograms

H302

H317

H331

H361

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H331 Toxic if inhaled
Acute toxicity, inhalation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

2,6-Dibromo-4-cyanophenyl octanoate
Bromoxynil Octanoate EC
Bromoxynil Octanoate
3,5-dibromo-4-octanoyloxybenzonitrile
2,6-dibromo-4-cyanophenylocatanoate
Bromoxynil-octanoate
Bromoxyniloctanoicacidester
Bromoxyniloctanoicacidester Solution
2,6-dibromo-4-cyanophenyl n-octanoate
4-octanoyloxy-3,5-dibromobenzonitrile
brominalw
bromoxyniln-octanoylester
nph1320
3,5-Dibromo-4-hydroxybenzonitrile octanoate
rp-16272
'LGC' (1610)
Bromoxynil-oct
bromoxyniloctanoate,[solid]
Bromoxynil n-octanoyl ester
BROMOXYNIL-OCTANOATE

MDL Number

MFCD00055484

Customs Code

2926909032

FAQ

What regulatory guidelines apply to 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2)?

2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA guidelines for substance handling and disposal. Manufacturers and importers must follow these guidelines for classification, labeling, and safety data sheets (SDS).

Are there alternatives to 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2) in synthesis?

Yes, there are alternatives such as 2,6-dibromophenyl octanoate or other brominated compounds that can serve as substitutes in synthesis. Common alternative reagents include bromine derivatives or other functionalized compounds that can achieve similar chemical reactions with different functional groups.

What is the market or research trend for 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2)?

The market trend for 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2) is showing growth in industrial applications, particularly in the synthesis of dyes, pharmaceuticals, and agrochemicals. Research is focusing on its use in developing new materials and improving existing chemical processes, while market trends indicate increasing demand in emerging economies.

How should waste containing 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2) be handled?

Waste containing 2,6-Dibromo-4-cyanophenyl octanoate (CAS: 1689-99-2) should be collected in sealed containers, labeled appropriately, and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring complete combustion and minimizing environmental impact. Proper environmental protection measures, such as air and water monitoring, should be implemented during disposal to prevent contamination.