5-Bromo-2,1,3-benzothiadiazole

• CAS: 1753-75-9
• Catalog Number: ACM1753759
• Category: Other
• Molecular Weight: 215.07
• Molecular Formula: C₆H₃BrN₂S
• Synonyms: 5-bromo-2,1,3-benzothiadiazole, 1753-75-9, 5-Bromobenzo[c][1,2,5]thiadiazole, ZINC00158664, PubChem12684, AC1MCQV2, SureCN19707, ACMC-209ea1, AMTH068, CTK4D5909, 5-bromobenzo[1,2,5]thiadiazole, 5-Bromobenzo-2,1,3-thiadiazole, MolPort-000-142-374, 2,1,3-Benzothiadiazole,5-bromo-, 5-Bromo-benzo[2,1,3]thiadiazole, 5-Bromobenzo-2,1,3-thiadiazole,, 5-Bromobenzo[2,1,3]-thiadiazole, 5-bromanyl-2,1,3-benzothiadiazole, 5-bromobenzo[c]1,2,5-thiadiazole, ANW-22775
• IUPAC Name: 5-bromo-2,1,3-benzothiadiazole
• Canonical SMILES: C1=CC2=NSN=C2C=C1Br
• InChI Key: LLCRUZDFDGTAAN-UHFFFAOYSA-N
• Boiling Point: 272.2ºC at 760mmHg
• Melting Point: 51-53ºC
• Flash Point: 118.4ºC
• Density: 1.859g/cm³
• Exact Mass: 213.92000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 5-Bromo-2,1,3-benzothiadiazole?

The molecular formula is C6H3BrN2S.

What is the molecular weight of 5-Bromo-2,1,3-benzothiadiazole?

The molecular weight is 215.07 g/mol.

When was 5-Bromo-2,1,3-benzothiadiazole created?

It was created on July 19, 2005.

When was 5-Bromo-2,1,3-benzothiadiazole last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 5-Bromo-2,1,3-benzothiadiazole?

The IUPAC name is 5-bromo-2,1,3-benzothiadiazole.

What is the InChI of 5-Bromo-2,1,3-benzothiadiazole?

The InChI is InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H.

What is the InChIKey of 5-Bromo-2,1,3-benzothiadiazole?

The InChIKey is LLCRUZDFDGTAAN-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2,1,3-benzothiadiazole?

The canonical SMILES is C1=CC2=NSN=C2C=C1Br.

What is the CAS number of 5-Bromo-2,1,3-benzothiadiazole?

The CAS number is 1753-75-9.

What is the European Community (EC) number of 5-Bromo-2,1,3-benzothiadiazole?

The European Community (EC) number is 692-289-0.

Synthetic Use

Upstream Synthesis Route 1

• 1575-37-7

• 1753-75-9

Reference: [1] RSC Advances, 2016, vol. 6, # 71, p. 66978 - 66989

Upstream Synthesis Route 2

• 1575-37-7

• 1753-75-9

Reference: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1979,vol. 17,p. 13 - 16

Downstream Synthesis Route 1

• 1753-75-9

• 72023-79-1

Reference: [1] Zhurnal Obshchei Khimii, 1957, vol. 27, p. 2599,2603; engl. Ausg. S. 2656, 2659
[2] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1967, vol. 3, p. 662 - 666[3] Khimiya Geterotsiklicheskikh Soedinenii, 1967, vol. 3, # 5, p. 839 - 844
[4] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1979, vol. 17, p. 13 - 16

Downstream Synthesis Route 2

• 1753-75-9

• 72023-79-1

Reference: [1]Zhurnal Obshchei Khimii,1957,vol. 27,p. 2599,2603; engl. Ausg. S. 2656, 2659
[2]Chemistry of Heterocyclic Compounds,1967,vol. 3,p. 662 - 666
Khimiya Geterotsiklicheskikh Soedinenii,1967,vol. 3,p. 839 - 844
[3]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1979,vol. 17,p. 13 - 16

* For details of the synthesis route, please refer to the original source to ensure accuracy.