1,3-Benzothiazol-5-amine

Basic Information

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CAS Number

1123-93-9

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

55 °C

Boiling Point

323.1°C at 760 mmHg

Water Solubility

Sparingly soluble in water.(0.26 g/L) (25°C),

Flash Point

149.2 °C

SMILES

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C1=CC2=C(C=C1N)N=CS2

InChI

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

InChIKey

UJZYHMZRXGNDFB-UHFFFAOYSA-N

LogP

1.8784999999999998

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

FT-0681749
5-Amino-benzothiazole
benzo[d]thiazol-5-amine
1123-93-9
5-AMINOBENZOTHIAZOLE
SCHEMBL115598
CS-W007552
BDBM626169
Benzothiazol-5-amine
5-Amino-1,3-benzothiazole
J-503869
AKOS000302989
1,3-benzothiazol-5-ylamine
5-benzothiazolamine, AldrichCPR
Z425486860
EN300-42151
A802566
1,3-Benzothiazol-5-amine;Benzothiazol-5-ylamine;Benzothiazol-5-amine
1,3-benzothiazol-5-amine
BP-11254
5-Benzothiazolamine
DTXSID00149988
AS-5509
AM84341
UJZYHMZRXGNDFB-UHFFFAOYSA-N
NSC-170655
5-AMINO-1,3-BENZOTHIAZOL
BCP29822
NSC170655
F2173-0006
NSC 170655

MDL Number

MFCD04115282

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,3-Benzothiazol-5-amine (CAS: 1123-93-9)?

1,3-Benzothiazol-5-amine is a crystalline solid with a molecular weight of approximately 163.21 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol. The compound shows good reactivity with nucleophiles and can undergo substitution reactions. It is stable under normal conditions but requires protection from moisture and air.

How is 1,3-Benzothiazol-5-amine (CAS: 1123-93-9) typically synthesized?

1,3-Benzothiazol-5-amine is commonly synthesized through the reaction of aniline and benzoic acid in the presence of a suitable catalyst like p-toluenesulfonic acid. The reaction involves amide formation followed by the introduction of the benzothiazole ring. The yield is typically around 75-85% with good selectivity.

What industries use 1,3-Benzothiazol-5-amine (CAS: 1123-93-9)?

1,3-Benzothiazol-5-amine is primarily used in the pharmaceutical industry for its anti-inflammatory and anti-allergic properties. It is also utilized in the polymer industry for enhancing the stability of polymers. Additionally, it finds applications in the sensor and semiconductor industries for its electronic properties.

What precautions should be taken when handling 1,3-Benzothiazol-5-amine (CAS: 1123-93-9)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling 1,3-Benzothiazol-5-amine. It should be stored in a closed container in a cool, dry place away from moisture and heat sources. In case of a spill, the area should be ventilated and the spill cleaned up using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.