Isothiocyanatocyclohexane

Basic Information

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CAS Number

1122-82-3

Molecular Formula

C7H11NS

Molecular Weight

141.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

219°C

Refractive Index

n20/D 1.536(lit.)

SMILES

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C1CCC(CC1)N=C=S

InChI

InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

InChIKey

MZSJGCPBOVTKHR-UHFFFAOYSA-N

LogP

2.421900000000001

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

121

Safety Information

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GHS Hazard Pictograms

H314

H317

H334

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Cyclohexyl isothiocyanate, 98%
Cyclohexyl-isothiocyanat
Isothiocyanocyclohexane
NSC 60129
2UF76U4DED
AKOS000120219
MFCD00003841
ISOTHIOCYANATOCYCLOHEXANE
J-802179
WLN: L6TJ ANCS
EINECS 214-361-9
FT-0624205
D91097
CYCLOHEXANE,ISOTHIOCYANATO-
EN300-20282
Cyclohexylisothiocyanate
VS-02927
J-801004
Isothiocyanic acid, cyclohexyl ester
NS00010669
Cyclohexyl-isothiocyanat [German]
I0187
Cyclohexyl isothiocyanate, isothiocyanato-
F0001-0272
SCHEMBL330620
isothiocyanato-cyclohexane
NSC60129
Cyclohexyl isothiocyanate
cylcohexyl isothiocyanate
cyclohexane isothiocyanate
InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H

MDL Number

MFCD00003841

Customs Code

2930909090

FAQ

What regulatory guidelines apply to Isothiocyanatocyclohexane (CAS: 1122-82-3)?

Isothiocyanatocyclohexane (CAS: 1122-82-3) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and the Toxic Substances Control Act (TSCA) in the USA. Specific handling and storage guidelines, along with hazard communication requirements, are outlined in these regulatory frameworks.

Are there alternatives to Isothiocyanatocyclohexane (CAS: 1122-82-3) in synthesis?

Yes, alternatives to Isothiocyanatocyclohexane include other isothiocyanates like phenyl isothiocyanate and toluene-2,4-diisocyanate. These can be used as reagents in similar synthetic reactions, providing different functional groups and reactivity properties.

What is the market or research trend for Isothiocyanatocyclohexane (CAS: 1122-82-3)?

The market for Isothiocyanatocyclohexane (CAS: 1122-82-3) is growing due to increasing research in organic synthesis and material science. Recent trends indicate a focus on developing more sustainable and efficient synthetic routes. Additionally, growing interest in novel materials and pharmaceuticals is driving demand.

How should waste containing Isothiocyanatocyclohexane (CAS: 1122-82-3) be handled?

Waste containing Isothiocyanatocyclohexane (CAS: 1122-82-3) should be collected in appropriate containers and neutralized before disposal. Professional waste disposal services should be used, adhering to local regulations. Environmental protection measures include the use of personal protective equipment and proper ventilation to prevent exposure and environmental contamination.