2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Basic Information

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CAS Number

4651-91-6

Molecular Formula

C9H10N2S

Molecular Weight

167.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

151-153°C

Boiling Point

398.1℃ at 760 mmHg

Density

1.27

Flash Point

194.6 °C

SMILES

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C1CCC2=C(C1)C(=C(S2)N)C#N

InChI

InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2

InChIKey

ADHVMGAFAKSNOM-UHFFFAOYSA-N

LogP

2.517520000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

220

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD00128278
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
SCHEMBL620749
2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl cyanide
4651-91-6
J-507812
SR-01000395246-1
EN300-02283
Z56862365
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
EINECS 225-085-3
2-amino-3-cyano-4,5,6,7-tetrahydrobenzo(b)thiophene
CHEMBL1632047
2T-0811
AE-641/01150001
2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene
FT-0635378
NSC-86907
Cambridge id 5130181
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile #
NSC86907
NS00031613
Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-
2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile
AB03582
CCG-40515
SR-01000395246
AKOS000103688
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen e-3-carbonitrile
F0016-0385

MDL Number

MFCD00128278

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6)?

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6) falls under various regulatory guidelines. It is classified according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) which requires specific hazard communication elements. In Europe, it must comply with the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. For U.S. markets, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific guidelines regarding its use and handling, including storage, labeling, and disposal.

Are there alternatives to 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6) in synthesis?

Several alternatives can be used in the synthesis of 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6). Researchers often look at using structurally similar compounds such as 2-Amino-1-benzothiophene or 2-Amino-3-thiophenecarbonitrile as alternatives. These alternatives can offer similar chemical properties and can be used as substitutes depending on the specific requirements of the reaction.

What is the market or research trend for 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6)?

The market for 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6) is currently stable, with a focus on its application in pharmaceuticals and materials science. Recent research trends indicate an increasing interest in its use as an intermediate in the synthesis of bioactive compounds and in the development of novel materials. Price trends remain consistent, but there is ongoing exploration of cost-effective and sustainable synthesis methods to meet growing demand.

How should waste containing 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6) be handled?

Waste containing 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS: 4651-91-6) should be collected in appropriate containers and stored separately to prevent contamination. Prior to disposal, the waste must be treated to neutralize any hazardous components. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Environmental protection measures, such as proper ventilation and safety equipment, should be adhered to during handling and disposal.