2-Cyano-6-hydroxybenzothiazole

Basic Information

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CAS Number

939-69-5

Molecular Formula

C8H4N2OS

Molecular Weight

165.22 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

Pale-yellow to Yellow-brown Solid

Melting Point

211-213 °C

Boiling Point

374.7±34.0°C at 760 mmHg

Density

1.53

Flash Point

180.387 °C

Refractive Index

1.744

SMILES

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C1=CC2=C(C=C1O)SC(=N2)C#N

InChI

InChI=1S/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H

InChIKey

SQAVNBZDECKYOT-UHFFFAOYSA-N

LogP

2.31032

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

224

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

6-Hydroxybenzo[d]thiazole-2-carbonitrile
2-CYANO-6-HYDROXYBENZOTHIAZOLE
2-Benzothiazolecarbonitrile, 6-hydroxy-
2-CYANO-6-HYDROXYBENZOTHIAZ
6-hydroxy-1,3-benzothiazole-2-carbonitrile
6-hydroxy-2-cyano-benzothiazole
2-cyano-6-hydroxybenzothiazol
2-cyano-6-hydroxybenzthiazole
6-Hydroxy-2-Benzothiazolecarbonitrile
6-hydroxy-2-cyanobenzothiazole
6-hydroxybenzothiazole-2-carbonitrile
BEN041
PubChem19680
SQAVNBZDECKYOT-UHFFFAOYSA-N
FCH841120
ST
6-Hydroxy-2-benzothiazolecarbonitrile (ACI)
2-Cyano-6-hydroxybenzothiazole
6-Hydroxy-2-cyanobenzothiazole
2-cyano-6-hydroxybenzothiazole
FS-2463
J-509202
AC-7689
6-Hydroxybenzothiazole-2-carbonitrile, 96%
GEO-00837
C8H4N2OS
DTXSID10432318
SCHEMBL140656
SY065965
6-hydroxybenzo[d]thiazole-2-carbonitrile
CS-W005799

MDL Number

MFCD00296905

Customs Code

2934999090

FAQ

What is 2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5)?

2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) is an organic compound with the molecular formula C8H5NO3S. It is characterized by its cyano and hydroxy groups attached to a benzothiazole ring. This compound has a pale yellow to white solid appearance and is used in various applications including pharmaceuticals and research.

What are the main uses of 2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5)?

2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) is primarily used in the pharmaceutical industry for synthesizing drugs and intermediates. It also finds applications in research for studying the properties of benzothiazole derivatives. Additionally, it can be used in some chemical syntheses for the development of various organic compounds.

Is 2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) safe?

2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) is generally considered safe under normal handling procedures. However, it is important to follow safety guidelines, such as wearing gloves and goggles, to prevent skin and eye contact. Proper ventilation is also recommended to avoid inhalation risks.

How should 2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) be stored?

2-Cyano-6-hydroxybenzothiazole (CAS: 939-69-5) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is best stored in a tightly sealed container to prevent moisture absorption. Avoid contact with oxidizing agents and store in a well-ventilated area.