Octahydro-1H-isoindole

Basic Information

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CAS Number

21850-12-4

Molecular Formula

C8H15N

Molecular Weight

125.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

SMILES

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C1CCC2CNCC2C1

InChI

InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2

InChIKey

ODSNARDHJFFSRH-UHFFFAOYSA-N

LogP

1.396

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

88.7

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL258635
WAA85012
1H-Isoindole, octahydro-
SB33723
Octahydro-1H-isoindole
A815695
rel-(3aR,7aS)-Octahydro-1H-isoindole
MFCD03265253
Z1198161702
Octahydro-isoindole
FT-0658742
cis-Octahydroisoindole HCl
BB 0237482
AC-1464
ODSNARDHJFFSRH-UHFFFAOYSA-N
BCP04297
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
EN300-101292
perhydroisoindole
cis-octahydro-isoindole
DTXSID60944456
SY022622
Octahydroisoindole
MFCD07778620
21850-12-4
FT-0603836
Cis-octahydro-isoindoline
AM20070530
AKOS005171215
W10079
J-520092

MDL Number

MFCD03265253

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Octahydro-1H-isoindole (CAS: 21850-12-4)?

Octahydro-1H-isoindole (CAS: 21850-12-4) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. In the European Union, it is regulated under the REACH regulations, requiring manufacturers and importers to register substances with the European Chemicals Agency (ECHA). In the USA, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may require documentation and testing for specific uses and applications.

Are there alternatives to Octahydro-1H-isoindole (CAS: 21850-12-4) in synthesis?

Yes, there are several alternatives to Octahydro-1H-isoindole in synthesis, such as 1,3-dihydro-2H-indol-2-one, indoline, and 1H-indole. These compounds can serve similar functional groups and can be used as substitutes depending on the specific application. Isomers and analogs like 1H-indole-2,3-dione and 1,3-dihydro-2H-indol-2-one may also be used in the synthesis, providing alternative pathways for chemical reactions.

What is the market or research trend for Octahydro-1H-isoindole (CAS: 21850-12-4)?

The market for Octahydro-1H-isoindole (CAS: 21850-12-4) is primarily driven by its use in pharmaceuticals and agrochemicals. Emerging research trends include its application in developing new drugs and as a precursor in drug synthesis. Market trends show a steady demand, with price stability. Research is also focusing on its potential in natural products and as a chiral building block in asymmetric synthesis.

How should waste containing Octahydro-1H-isoindole (CAS: 21850-12-4) be handled?

Waste containing Octahydro-1H-isoindole (CAS: 21850-12-4) should be collected in appropriate containers and labeled with the chemical name and hazard information. It should be disposed of through professional waste disposal services to ensure safe and compliant disposal. Environmental protection precautions include proper containment to prevent leaks or spills. Incineration is a common method for disposal, but consult local regulations as disposal methods may vary by region.