(3aR,7aS)-octahydro-1H-isoindole-1,3-dione, cis

Basic Information

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CAS Number

7506-66-3

Molecular Formula

C8H11NO2

Molecular Weight

153.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Boiling Point

330.8°C at 760 mmHg

Density

1.18

Flash Point

159.3℃

SMILES

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C1CCC2C(C1)C(=O)NC2=O

InChI

InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6+

InChIKey

WLDMPODMCFGWAA-OLQVQODUSA-N

LogP

0.4491999999999996

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

190

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

rel-(3aR,7aS)-Hexahydro-1H-isoindole-1,3(2H)-dione
WLDMPODMCFGWAA-OLQVQODUSA-N
EN300-6772365
(3aR,7aS)-octahydro-1H-isoindole-1,3-dione
7506-66-3
cis-Perhydrophthalimide
1,2-Cyclohexanedicarboximide, (Z)-
cis-1,2-Cyclohexanedicarboximide
CS-0077657
(3aR,7aS)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
DTXSID701229179
NSC 407018
D71024
W-104399
1H-Isoindole-1,3(2H)-dione, hexahydro-, (3aR,7aS)-rel-
BRN 0083211
1,2-Cyclohexanedicarboximide, cis-
A838316
1H-Isoindole-1,3(2H)-dione, hexahydro-, cis-,
cis-Hexahydro-1H-isoindole-1,3(2H)-dione
AC-2048
cis-cyclohexanedicarboximide
5-21-10-00078 (Beilstein Handbook Reference)
cis -1,2-Cyclohexanedicarboximide
SCHEMBL2543825
Perhydrophthalimide
cis-cyclohexane-1,2-dicarboximide
NSC-407018
DJ83GRX3YC
(3aR,7aS)-hexahydro-1H-isoindole-1,3(2H)-dione
1,2,3,6-Hexahydrophthalimide, cis-

MDL Number

MFCD00067706

FAQ

What regulatory guidelines apply to (3aR,7aS)-octahydro-1H-isoindole-1,3-dione, cis (CAS: 7506-66-3)?

This compound is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a skin and eye irritant. In the European Union, it is regulated under REACH for registration, evaluation, authorization, and restriction of chemicals. The FDA and EPA may have additional requirements for its use and disposal in food and pharmaceutical applications.

Are there alternatives to (3aR,7aS)-octahydro-1H-isoindole-1,3-dione, cis (CAS: 7506-66-3) in synthesis?

There are several alternatives that can be used as substitutes in synthesis, such as other diones or cyclic ketones. Isomers like (3aS,7aR)-octahydro-1H-isoindole-1,3-dione can also be considered depending on the specific reaction conditions and desired product structure.

What is the market or research trend for (3aR,7aS)-octahydro-1H-isoindole-1,3-dione, cis (CAS: 7506-66-3)?

The market for (3aR,7aS)-octahydro-1H-isoindole-1,3-dione shows steady growth due to its use in pharmaceuticals and agrochemicals. Research trends are focused on its potential as a bioisostere, and its role in drug discovery for treating various diseases. Price trends indicate stable pricing with minor fluctuations based on supply and demand.

How should waste containing (3aR,7aS)-octahydro-1H-isoindole-1,3-dione, cis (CAS: 7506-66-3) be handled?

Waste containing (3aR,7aS)-octahydro-1H-isoindole-1,3-dione should be collected in appropriate containers and stored in a secure area. It should be disposed of through professional waste disposal services that handle hazardous chemicals. Environmental protection measures include preventing spills and ensuring proper ventilation during handling to avoid inhalation or skin contact.