2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane

Basic Information

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CAS Number

68239-06-5

Molecular Formula

C38H70N2O2

Molecular Weight

586.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)CCCCC

InChI

InChI=1S/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3

InChIKey

AMUBKBXGFDIMDJ-UHFFFAOYSA-N

LogP

12.098999999999984

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

683

Synonyms & References

English

2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-cyclohexane
W-111349
2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane
3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane
NS00060013
Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-
SCHEMBL502986
68239-06-5
Dimeryl diisocyanate
EINECS 269-419-6
DTXSID90867543
Cyclohexane,2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-
2-HEPTYL-3,4-BIS(9-ISOCYANATONONYL)-1-PENTYLCYCLOHEXANE
AC1L35OY
AC1Q6BNK
AG-G-61390
AR-1E2008
CTK5C7595
2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-cyclohexan

MDL Number

MFCD00270754

FAQ

What regulatory guidelines apply to 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5)?

The compound 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5) falls under the scope of the REACH regulation in the European Union. It may also require classification and labeling under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). Additionally, the FDA and EPA have specific regulations for chemicals used in pharmaceuticals and chemicals, respectively.

Are there alternatives to 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5) in synthesis?

Alternative reagents such as 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-hexylcyclohexane or other isocyanate derivatives can be used as alternatives in synthesis. These alternatives offer similar functional groups but may have different reactivity and physical properties, making them suitable for various applications depending on the specific needs.

What is the market or research trend for 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5)?

The market for 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5) is driven by its use in coatings, adhesives, and sealants. Research trends focus on its application in high-performance materials and its potential in environmental applications where it can replace more harmful substances. Price trends show stability with moderate demand, and emerging research is exploring its use in biodegradable polymers and advanced composites.

How should waste containing 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5) be handled?

Waste containing 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane (CAS: 68239-06-5) should be collected in labeled containers and stored in a well-ventilated area away from heat and ignition sources. It should be disposed of by incineration or professional waste disposal services that comply with local and national regulations. Proper environmental protection measures, including neutralization of acids or bases if necessary, should be taken to prevent environmental contamination.