1H-Isoindole-1,3(2H)-diimine

Basic Information

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CAS Number

3468-11-9

Molecular Formula

C8H7N3

Molecular Weight

145.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

197 ºC

Boiling Point

254.27°C (rough estimate)

Flash Point

135.5 ºC

Refractive Index

1.5400 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

InChIKey

RZVCEPSDYHAHLX-UHFFFAOYSA-N

LogP

0.7308700000000001

Topological Polar Surface Area

62.230000000000004 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

219

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Sensitiveness

Prone to moistening, sensitive to air

Synonyms & References

English

AS-81620
CAS-3468-11-9
Isoindoline-1,3-diimine
EINECS 222-426-8
(Z,Z)-1,3-Diiminoisoindoline
E81290
FT-0606669
W-109900
EN300-6477295
Q28456148
Afastogen Blue 5040
1H-Isoindole-1,3(2H)-diimine
MFCD00010062
1,3-Diiminoisoindolin [Czech]
Tox21_301457
InChI=1/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
Modr ftalostanova 3g
1-amino-3-imino-isoindolenine
diiminoisoindole
Phthalocyanine Blue 01206
Isoindoline,3-diimino-
1,3-Diiminoisoindoline, 97%
Phthalimidimide
NSC516222
Modr Ftalostanova 3G [Czech]
3-azanylideneisoindol-1-amine
1H-Isoindol-3-amine, 1-imino-
NSC 516222
1-Imino-1H-isoindol-3-amine
ISOINDOLINE, 1,3-DIIMINO-
2,3-dihydro-1H-isoindole-1,3-diimine

MDL Number

MFCD00010062

FAQ

What regulatory guidelines apply to 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9)?

1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) is subject to various regulatory guidelines including GHS classification for hazard communication, REACH regulations for registration, evaluation, authorization, and restriction of chemicals, as well as FDA and EPA requirements for its use in pharmaceuticals and environmental impact assessments.

Are there alternatives to 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) in synthesis?

Alternatives to 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) in synthesis include related isoindole derivatives and other heterocyclic compounds such as isoquinoline. Common alternative reagents include different nitrogen-containing heterocycles or substituents that can be used as precursors for similar functional groups.

What is the market or research trend for 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9)?

The market for 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) is growing due to increasing research in pharmaceuticals and materials science. Recent trends show an emphasis on developing more sustainable synthesis methods and exploring its applications in drug discovery and functional materials. Research is also focusing on its potential as an intermediate in chemical processes.

How should waste containing 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) be handled?

Waste containing 1H-Isoindole-1,3(2H)-diimine (CAS: 3468-11-9) should be collected in appropriate containers and stored separately to prevent contamination. Proper incineration or professional waste disposal methods should be used, and environmental protection precautions should be taken to ensure compliance with local and national regulations. Safety measures include proper ventilation and protective equipment during handling and disposal.