2-Aminobenzothiazole-6-carboxylic acid

Basic Information

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CAS Number

93-85-6

Molecular Formula

C8H6N2O2S

Molecular Weight

194.21 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

Basic Physical Properties

Melting Point

265 ºC (dec.)

Boiling Point

466.6°C at 760 mmHg

Density

1.604

Flash Point

236℃

SMILES

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C1=CC2=C(C=C1C(=O)O)SC(=N2)N

InChI

InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)

InChIKey

ZEAKWWWXCZMODH-UHFFFAOYSA-N

LogP

1.5767

Topological Polar Surface Area

76.21 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

224

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-Aminobenzo[d]thiazole-6-carboxylic acid
2-Amino-1,3-benzothiazole-6-carboxylic acid
2-Amino-benzothiazole-6-carboxylic acidhydrochloride
2-AMINO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID HYDROCHLORIDE
2-Amino-6-benzothiazolecarboxylic acid
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID
2-Aminobenzothiazole-6-carboxylic acid
6-Benzothiazolecarboxylic acid, 2-amino-
ZEAKWWWXCZMODH-UHFFFAOYSA-N
NSC39119
zlchem 188
Oprea1_320657
Oprea1_294753
CBDivE_005564
KSC487A1L
2-Amino-6-carboxybenzothiazole
ZLB0179
E
2-Amino-6-benzothiazolecarboxylic acid (ACI)
NSC 39119
2-aminobenzo[d]thiazole-6-carboxylicacid
NS00039690
BA-0937
2-amino benzothiazole-6-carboxylic acid
93-85-6
ALBB-005234
J-508024
EU-0000300
2-aminobenzo[d]thiazole-6-carboxylic acid
BBL008024
AC-22974

MDL Number

MFCD00054180

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6)?

2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6) is a white or light yellow crystalline solid with a molecular weight of approximately 227.24 g/mol. It has a solubility of about 1.5 g/L in water and shows moderate reactivity with basic substances. It is insoluble in common organic solvents like ethanol and acetone.

How is 2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6) typically synthesized?

2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6) is typically synthesized via the condensation of 2-aminobenzothiazole with a carboxylic acid chloride in the presence of a base like triethylamine. The reaction yields the target compound in good to excellent purity with high selectivity.

What industries use 2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6)?

2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6) is used in various industries, including pharmaceuticals for the synthesis of drug intermediates, polymers for special chemical properties, and sensors for detecting specific analytes. It also finds applications in the production of semiconductors and other advanced materials.

What precautions should be taken when handling 2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6)?

When handling 2-Aminobenzothiazole-6-carboxylic acid (CAS: 93-85-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. If a spill occurs, clean it up in a fume hood using appropriate absorbents and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.