2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid | CAS No. 130-17-6

Q: What precautions should be taken when handling 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6)?

When handling 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles to protect against skin contact and eye irritation. This compound should be stored in a cool, dry place away from direct sunlight and potential sources of ignition. In case of a spill, immediately cleanup the area using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.

2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

Basic Information

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CAS Number

130-17-6

Molecular Formula

C14H12N2O3S2

Molecular Weight

320.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>300 ºC

Boiling Point

°Cat760mmHg

Water Solubility

<0.1 g/100 mL at 22 ºC

Refractive Index

1.7140 (estimate)

SMILES

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CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)

InChIKey

KGZUHYIHYBDNLC-UHFFFAOYSA-N

LogP

3.100620000000001

Topological Polar Surface Area

93.28 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

471

Safety Information

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Hazard Statement

Synonyms & References

English

NSC-44566
CS-0324586
AKOS000668604
DTXCID804501
2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonicacid
Dehydrothio-p-Toluidine sulfonic Acid
Maybridge1_002523
D.T.S.
MFCD00043906
NCGC00260017-01
2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonicacid
7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- (9CI)
EINECS 204-979-7
DivK1c_001275
CDS1_000235
AMINOPHENYL)-6-METHYL-7-BENZOTHIAZOLE SULFONIC ACID, 2-(4-
2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid
BRN 0313390
2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
2-27-00-00492 (Beilstein Handbook Reference)
2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid
A806031
NSC 44566
2-(4-AMINOPHENYL)-6-METHYLBENZOTHIAZOLESULFONIC ACID
130-17-6
NS00009901
KGZUHYIHYBDNLC-UHFFFAOYSA-N
7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
2-(4-Aminophenyl)-6-methyl-7-benzothiazole sulfonic acid
DTXSID0024501
Dehydrothio-p-toluidine-3-monosulfonic acid

MDL Number

MFCD00043906

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6)?

2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6) is a white to light yellow crystalline solid with a molecular weight of approximately 310.29 g/mol. It has a density of about 1.48 g/cm³ and is slightly soluble in water. This compound is chemically stable under normal conditions but can react with strong acids to form sulfonic acid derivatives. It is used in various applications due to its unique chemical properties.

How is 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6) typically synthesized?

2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6) can be synthesized through a multi-step process involving the reaction of 4-aminophenol with thioacetamide in the presence of a base, followed by methylation and sulfonation. The reaction is typically carried out under mild conditions, and the yield is around 70-80%. Catalysts such as sodium carbonate or potassium carbonate are often used to enhance yield and selectivity.

What industries use 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6)?

2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6) is primarily used in pharmaceuticals, where it serves as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for stabilizing and enhancing properties of polymers, as well as in the development of sensors and semiconductors due to its unique electronic and chemical properties.

What precautions should be taken when handling 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6)?

When handling 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS: 130-17-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles to protect against skin contact and eye irritation. This compound should be stored in a cool, dry place away from direct sunlight and potential sources of ignition. In case of a spill, immediately cleanup the area using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.