1H-indole-7-carbonitrile

Basic Information

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CAS Number

96631-87-7

Molecular Formula

C9H6N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

368.956°C at 760 mmHg

Density

2.048

Flash Point

121.9℃

Refractive Index

1.736

SMILES

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C1=CC2=C(C(=C1)C#N)NC=C2

InChI

InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H

InChIKey

NTUHBYLZRBVHRS-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

191

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

7-Cyanoindole
7-Cyano-1H-indole
1H-Indole-7-carbonitrile
7 -Cyanoindole
indole-7-nitrile
PubChem20912
7-cyanoindole, AldrichCPR
AMBZ0216
NTUHBYLZRBVHRS-UHFFFAOYSA-N
BCP27589
FCH842292
BBL102638
STL556441
VI30451
TRA0038883
OR40232
LS20017
SY012219
ST2408920
AX8023278
AB0009810
Indole-7-carbonitrile
1H-indole-7-carbonitrile
AC-22689
SCHEMBL1420318
AS-11396
DTXSID90447546
EN300-219176
96631-87-7
AKOS005255107
CS-W002693

MDL Number

MFCD00800653

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1H-indole-7-carbonitrile (CAS: 96631-87-7)?

1H-indole-7-carbonitrile (CAS: 96631-87-7) falls under various regulatory guidelines including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements for chemical safety. Users must comply with local and international regulations as well.

Are there alternatives to 1H-indole-7-carbonitrile (CAS: 96631-87-7) in synthesis?

Alternatives to 1H-indole-7-carbonitrile (CAS: 96631-87-7) include 2H-indole-7-carbonitrile and 3H-indole-7-carbonitrile. Other synthetic approaches might involve using different heterocycles or substituting the indole ring with other aromatic scaffolds.

What is the market or research trend for 1H-indole-7-carbonitrile (CAS: 96631-87-7)?

The market for 1H-indole-7-carbonitrile (CAS: 96631-87-7) reflects growing interest in indole derivatives due to their versatile applications in pharmaceuticals and agrochemicals. Research trends focus on developing new synthetic methods and exploring novel bioactivities.

How should waste containing 1H-indole-7-carbonitrile (CAS: 96631-87-7) be handled?

Waste containing 1H-indole-7-carbonitrile (CAS: 96631-87-7) should be collected in a sealed container, labeled appropriately, and disposed of via incineration or professional waste disposal services. Environmental precautions include ensuring containment to prevent soil and water contamination.