4-(6-Methyl-1,3-benzothiazol-2-yl)aniline | CAS No. 92-36-4

Q: What are the physical and chemical properties of 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is a crystalline solid with a molecular weight of approximately 241.22 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. The compound exhibits good stability under normal conditions but is reactive towards strong oxidizing agents. It is used in various applications due to its unique chemical properties.

Q: How is 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) typically synthesized?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is synthesized through a multi-step process involving the coupling of 2-methylbenzothiazole with aniline under basic conditions. The synthesis typically requires the use of sodium hydride as a catalyst, with high selectivity and a yield of around 85%. The reaction is carried out in an inert atmosphere to prevent side reactions.

Q: What industries use 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is commonly used in the pharmaceutical industry for the synthesis of certain drugs, particularly those targeting immune modulation and inflammation. It is also used in the sensor industry for developing gas sensors and in polymer applications for enhancing certain mechanical properties. Additionally, it has applications in the semiconductor industry for its role in surface modification and passivation.

Q: What precautions should be taken when handling 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

When handling 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from heat sources and oxidizing agents. In case of a spill, it should be handled using appropriate containment measures, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline

Basic Information

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CAS Number

92-36-4

Molecular Formula

C14H12N2S

Molecular Weight

240.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

191-196 ºC

Boiling Point

434 ºC

Density

1.1769 (rough estimate)

Water Solubility

<0.1 g/100 mL at 20 ºC

Refractive Index

1.5700 (estimate)

SMILES

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CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3

InChIKey

XRTJYEIMLZALBD-UHFFFAOYSA-N

LogP

3.8539200000000022

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

263

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(4'-Aminophenyl)-6-methylbenzothiazole
4-(6-Methyl-2-benzothiazolyl)benzenamine
Benzothiazole, 2-(4-aminophenyl)-6-methyl-
4-(6-Methyl-1,3-benzothiazol-2-yl)phenylamine #
2-(p-Aminophenyl)-6-methylbenzothiazole
Dehydrothio-4-toluidine
NS00006502
EINECS 202-150-4
CBDivE_010782
CHEMBL93109
BRN 0175967
4-(6-methylbenzothiazol-2-yl)-aniline
BDBM50129788
BB 0245168
MFCD00005780
MLS000769098
4-(6-Methyl-1,3-benzothiazol-2-yl)phenylamine
BIDD:GT0828
Dehydrothiotoluidine
CS-W021009
2-(4-amino-phenyl)-6-methyl benzothiazole
EN300-17374
HMS2811I20
DHPT
4-(6-methylbenzo[d]thiazol-2-yl)aniline
EC 202-150-4
2-(4-aminophenyl)-6-methyl-benzothiazole
FT-0631447
SCHEMBL492713
p-(6-Methylbenzothiazol-2-yl)aniline
4-(6-Methyl-2-benzethiazolyl)-benzeneamine

MDL Number

MFCD00005780

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is a crystalline solid with a molecular weight of approximately 241.22 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. The compound exhibits good stability under normal conditions but is reactive towards strong oxidizing agents. It is used in various applications due to its unique chemical properties.

How is 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) typically synthesized?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is synthesized through a multi-step process involving the coupling of 2-methylbenzothiazole with aniline under basic conditions. The synthesis typically requires the use of sodium hydride as a catalyst, with high selectivity and a yield of around 85%. The reaction is carried out in an inert atmosphere to prevent side reactions.

What industries use 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4) is commonly used in the pharmaceutical industry for the synthesis of certain drugs, particularly those targeting immune modulation and inflammation. It is also used in the sensor industry for developing gas sensors and in polymer applications for enhancing certain mechanical properties. Additionally, it has applications in the semiconductor industry for its role in surface modification and passivation.

What precautions should be taken when handling 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4)?

When handling 4-(6-Methyl-1,3-benzothiazol-2-yl)aniline (CAS: 92-36-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from heat sources and oxidizing agents. In case of a spill, it should be handled using appropriate containment measures, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.