Cyclohexyl isocyanide

Basic Information

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CAS Number

931-53-3

Molecular Formula

C7H11N

Molecular Weight

12.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

6.45°C

Boiling Point

78°C/27mmHg

Density

0.878 g/mL at 25 °C

Refractive Index

n20/D 1.45(lit.)

SMILES

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[C-]#[N+]C1CCCCC1

InChI

InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2

InChIKey

XYZMOVWWVXBHDP-UHFFFAOYSA-N

LogP

0.08129

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

103

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Flammable.

Synonyms & References

English

CYCLOHEXYL ISOCYANIDE
Cyclohexane, isocyano-
Cyclohexaneisonitrile
BIO-FARMA BF001328
ISOCYANOCYCLOHEXANE
HANSA ISN-0519
CYCLOHEXYL ISONITRILE
Cyclohexyl #niso-cyanide
Cyclohexyl isocyanide (6CI, 7CI, 8CI)
Isocyanocyclohexane (ACI)
1-Cyclohexyl isonitrile
Cyclohexyl isonitrile
Isocyanocyclohexane
Cyclohexyl isocyanide
LS-13296
Q27102739
GEO-00871
cyclohexylisonitrile
STK893682
CS-W004145
931-53-3
NS00039528
NSC60128
EN300-254313
D89407
CHEBI:17966
N7L87QP9YG
EINECS 213-238-7
DB-057375
MFCD00003839
BBL020976

MDL Number

MFCD00003839

Customs Code

2926909090

FAQ

What regulatory guidelines apply to cyclohexyl isocyanide (CAS: 931-53-3)?

Cyclohexyl isocyanide (CAS: 931-53-3) is classified as a hazardous chemical under the Globally Harmonized System (GHS) and is regulated under REACH in the European Union. In the United States, it is regulated by the FDA and EPA. Companies should ensure compliance with local and national regulations, including proper labeling, storage, and disposal.

Are there alternatives to cyclohexyl isocyanide (CAS: 931-53-3) in synthesis?

Yes, there are alternative isocyanides available for synthesis, such as phenyl isocyanide or toluene isocyanide. These can be used as substitutes depending on the specific reaction conditions and desired product properties. Always consider the reactivity and stability of the alternative reagents.

What is the market or research trend for cyclohexyl isocyanide (CAS: 931-53-3)?

The market for cyclohexyl isocyanide is driven by its use in the synthesis of polymers and pharmaceuticals. Research trends include exploring its use in novel materials and developing safer synthesis methods. Price trends show steady demand with minor fluctuations due to supply chain issues.

How should waste containing cyclohexyl isocyanide (CAS: 931-53-3) be handled?

Waste containing cyclohexyl isocyanide should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of via incineration or other professional waste disposal methods. Ensure all safety precautions are followed to prevent fires or other hazards.