1H-Indol-3-ylacetonitrile

Basic Information

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CAS Number

771-51-7

Molecular Formula

C10H8N2

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

Melting Point

34.0 to 38.0 deg-C

Boiling Point

157-160 °C/0.2 mmHg

Density

1.1566 (rough estimate)

Refractive Index

1.6085-1.6105

SMILES

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C1=CC=C2C(=C1)C(=CN2)CC#N

InChI

InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

InChIKey

DMCPFOBLJMLSNX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

203

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

GLXC-26570
3-Indolylacetonitrile
BRN 0125488
NS00014724
EN300-20368
MB00159
1H-Indole-3-acetonitrile
1H-Indol-3-ylacetonitrile
NSC523272
AMY871
(3-Indolyl)acetonitrile
(1H-indol-3-yl)-acetonitrile
AI3-50105
(indol-3-yl)acetonitrile
CS-W008768
beta-indole-3-acetonitrile
b-Indoleacetonitrile
InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
Indolylacetonitril
2(1H-indol-3-yl)acetonitrile
3-Indolacetonitrile
Z104477894
CHEMBL1812654
DTXSID5061118
C02938
Indol-3-ylacetonitrile
1H-indole-3-ylacetonitrile
BIDD:GT0196
AG97OFW8JW
Indolylacetonitrile
NSC 523272

MDL Number

MFCD00005628

Customs Code

29339990

FAQ

What is 1H-Indol-3-ylacetonitrile (CAS: 771-51-7)?

1H-Indol-3-ylacetonitrile is a chemical compound with the CAS number 771-51-7. Its chemical formula is C10H9N2. It is an organic nitrile compound containing an indole ring and an acetonitrile group.

What are the main uses of 1H-Indol-3-ylacetonitrile (CAS: 771-51-7)?

1H-Indol-3-ylacetonitrile is primarily used in the synthesis of various pharmaceuticals and pesticides. It can also serve as a precursor in chemical research and as a component in some industrial applications.

Is 1H-Indol-3-ylacetonitrile (CAS: 771-51-7) safe?

1H-Indol-3-ylacetonitrile can be toxic and should be handled with care. It is important to follow all safety precautions, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. It is classified as a skin and eye irritant. Follow strict safety standards and regulations for its use and disposal.

How should 1H-Indol-3-ylacetonitrile (CAS: 771-51-7) be stored?

1H-Indol-3-ylacetonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. Maintain it in a tightly sealed container to prevent contamination and degradation. Store it in a well-ventilated area and follow all local safety regulations and storage guidelines to ensure safety and stability.