(2-Methyl-1,3-benzothiazol-5-yl)boronic acid

Basic Information

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CAS Number

590417-67-7

Molecular Formula

C8H8BNO2S

Molecular Weight

193.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

398.8±34.0°C at 760 mmHg

SMILES

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Cc1nc2cc(ccc2s1)B(O)O

InChI

InChI=1S/C8H8BNO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4,11-12H,1H3

InChIKey

XFPZHJXTRXAWAO-UHFFFAOYSA-N

LogP

0.28451999999999994

Topological Polar Surface Area

53.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(2-Methylbenzo[d]thiazol-5-yl)boronic acid
2-Methylbenzothiazole-5-boronic acid
Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI)
(2-methyl-1,3-benzothiazol-5-yl)boronic acid
Boronic acid, (2-methyl-5-benzothiazolyl)-
XFPZHJXTRXAWAO-UHFFFAOYSA-N
FCH898077
2-methyl-benzothiazole-5-boronic acid
OR361421
X0892
Boronic acid, B-(2-methyl-5-ben

MDL Number

MFCD12025970

FAQ

What is (2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7)?

(2-Methyl-1,3-benzothiazol-5-yl)boronic acid is an organic compound with the CAS number 590417-67-7. It is a boronic acid derivative of 1,3-benzothiazole with a methyl substituent. This compound is characterized by its aromatic ring structure and is used in various applications due to its chemical reactivity and stability.

What are the main uses of (2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7)?

(2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7) is primarily used in pharmaceutical research for its role as a boronic acid moiety in various synthetic reactions. It is also utilized in organic synthesis, particularly in Suzuki coupling reactions, and in the development of new materials and pharmaceuticals.

Is (2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7) safe?

(2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7) is generally considered safe for laboratory use when handled with proper precautions. Users should wear gloves and protective eyewear to prevent skin and eye contact. It is important to store the compound in a dry, cool place away from direct sunlight and flammable materials to minimize risks.

How should (2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7) be stored?

(2-Methyl-1,3-benzothiazol-5-yl)boronic acid (CAS: 590417-67-7) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept away from incompatible materials such as strong acids, oxidizing agents, and flammable solvents. The storage temperature should be maintained between 10°C and 25°C to ensure optimal stability and safety of the compound.