2-Cyano-6-methoxybenzothiazole

Basic Information

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CAS Number

943-03-3

Molecular Formula

C9H6N2OS

Molecular Weight

190.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

128.0 to 132.0 deg-C

Boiling Point

334.9°C at 760 mmHg

Density

1.2938 (rough estimate)

Solubility

chloroform: soluble5%, clear, colorless to faintly yellow

Refractive Index

1.6800 (estimate)

SMILES

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COC1=CC2=C(C=C1)N=C(S2)C#N

InChI

InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3

InChIKey

DEWDWBYQOFXKIH-UHFFFAOYSA-N

LogP

2.17658

Complexity

237

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

6-Methoxy-2-benzothiazolecarbonitrile
6-Methoxybenzothiazole-2-carbonitrile
2-Cyano-6-methoxybenzothiazole
6-methoxy-2-cyano-benzothiazole
6-methoxybenzo[d]thiazole-2-carbonitrile
2-cyano-6-methoxy benzothiozale
2-cyano-6-methoxybenzothiazol
2-CYANO-6-METHOXYBENZOTIAZOLE
6-METHOXY-2-BENZOTHIAZOLE-CARBONITRILE
6-Methoxy-2-cyanobenzothiazole
6-methoxybenzothiazol-2-carbonitrile
6-Methoxy-1,3-benzothiazole-2-carbonitrile
6-methoxy-benzothiazole-2-carbonitrile
2-Benzothiazolecarbonitrile, 6-methoxy-
DEWDWBYQOFXKIH-UHFFFAOYSA-N
NSC377382
PubChem9766
KSC486M5P
2-cyano-6-methoxybenzthiazole
BEN042
6-Methoxy-2-benzothiazolecarbonitrile (ACI)
6-Methoxybenzo[d]thiazole-2-carbonitrile
NSC 377382
EN300-235644
SCHEMBL906609
SY036854
2-cyano-6-methyoxy-benzothiazole
DB-012659
AC-7701
NSC-377382
CS-M0620

MDL Number

MFCD00010537

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3)?

2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3) is a crystalline compound with a molecular weight of approximately 216.21 g/mol. It has a low water solubility and is moderately soluble in organic solvents. The compound is known for its chemical stability and reactivity with various nucleophiles.

How is 2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3) typically synthesized?

2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3) is typically synthesized via a multi-step process involving the reaction of 6-methoxybenzothiazole with cyanogen chloride. The synthesis involves the use of a solvent such as acetonitrile and yields a product with high purity and good selectivity.

What industries use 2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3)?

2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a stabilizer, and in semiconductor and sensor applications for specific chemical sensing and electronic properties.

What precautions should be taken when handling 2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3)?

When handling 2-Cyano-6-methoxybenzothiazole (CAS: 943-03-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with care using appropriate cleanup procedures as outlined in the safety data sheet (SDS).