1,3-Benzothiazol-6-amine

Basic Information

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CAS Number

533-30-2

Molecular Formula

C7H6N2S

Molecular Weight

150.21 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

Basic Physical Properties

Melting Point

86.0 to 90.0 deg-C

Boiling Point

323.1°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

149.2 °C

Refractive Index

1.5500 (estimate)

SMILES

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C1=CC2=C(C=C1N)SC=N2

InChI

InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

InChIKey

FAYAYUOZWYJNBD-UHFFFAOYSA-N

LogP

1.8785

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

129

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

MFCD00015461
CS-W002100
NS00032719
4-27-00-04884 (Beilstein Handbook Reference)
benzothiazol-6-ylamine
6-AMINOBENZOTHIAZOLE [MI]
benzo[d]thiazol-6-amine
533-30-2
CCRIS 8694
AE-641/00784028
EN300-57986
benzothiazol-6-yl-amine
InChI=1/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H
AKOS000813612
SY019445
F2167-0012
1,3-Benzothiazol-6-amine
FT-0620932
NSC 170647
Benzothiazole, 6-amino-
SDCCGMLS-0065935.P001
6-Amino-benzothiazole
6-Benzothiazolamine
Benzothiazol-6-amine
6-amino benzothiazole
NSC-170647
1,3-Benzothiazol-6-amine #
6-Aminobenzothiazole
6-Aminobenzothiazole, 97%
JAE
SCHEMBL116883

MDL Number

MFCD00015461

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,3-Benzothiazol-6-amine (CAS: 533-30-2)?

1,3-Benzothiazol-6-amine (CAS: 533-30-2) is a crystalline solid with a molecular weight of approximately 172.19 g/mol. It has a solubility of about 60.2 mg/L in water. This compound is relatively stable but can react with strong acids to form a thiazole derivative. It is slightly soluble in common organic solvents like ethanol and acetone.

How is 1,3-Benzothiazol-6-amine (CAS: 533-30-2) typically synthesized?

1,3-Benzothiazol-6-amine is typically synthesized via a multi-step process involving the condensation of 2-aminothiazole with 1,3-dibromopropane. The reaction is catalyzed by a base such as sodium hydride, and the yield is generally around 75-80%. The reaction is conducted at room temperature and requires a fume hood due to the use of volatile reagents.

What industries use 1,3-Benzothiazol-6-amine (CAS: 533-30-2)?

1,3-Benzothiazol-6-amine (CAS: 533-30-2) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis. It is also used in the polymer industry for improving the properties of certain plastics, in sensor technology for detecting specific gases, and in semiconductor manufacturing for etching and cleaning processes.

What precautions should be taken when handling 1,3-Benzothiazol-6-amine (CAS: 533-30-2)?

When handling 1,3-Benzothiazol-6-amine (CAS: 533-30-2), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight. In case of a spill, use appropriate absorbent materials and clean up in a well-ventilated area. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.