4,7-Dibromo-2,1,3-benzothiadiazole

• CAS: 15155-41-6
• Catalog Number: ACM15155416
• Category: Organic & Printed Electronics
• Molecular Weight: 293.95999999999998
• Molecular Formula: C6H2Br2N2S
• Synonyms: 4,7-DIBROMO-2,1,3-BENZOTHIADIAZOLE;4,7-Dibromo-2,1,3-Benzothidiazole;4,7-Dibromobenzo[c][1,2,5]thiadiazole;4,7-Dibromobenzo[c][1,2,5]thiadiazole ,97%;DBBTA;4,7-Dibromobenzo-2,1,3-thiadiazole;4,7-dibroMo-,4,7-DibroMo-1,2,3-benzothiadiazole;4,7-DibroMo-2,1,
• IUPAC Name: 4,7-dibromo-2,1,3-benzothiadiazole
• Canonical SMILES: C1=C(C2=NSN=C2C(=C1)Br)Br
• InChI: InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
• InChI Key: FEOWHLLJXAECMU-UHFFFAOYSA-N
• Melting Point: 189 °C
• Appearance: White to Light yellow to Light orange powder to crystal
• Complexity: 142
• Covalently-Bonded Unit Count: 1
• Exact Mass: 293.8285g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD00658844
• Monoisotopic Mass: 291.83054g/mol
• Rotatable Bond Count: 0
• XLogP3: 3.2

Custom Q&A

What is the molecular formula of 4,7-Dibromo-2,1,3-benzothiadiazole?

The molecular formula of 4,7-Dibromo-2,1,3-benzothiadiazole is C6H2Br2N2S.

What is the molecular weight of 4,7-Dibromo-2,1,3-benzothiadiazole?

The molecular weight of 4,7-Dibromo-2,1,3-benzothiadiazole is 293.97 g/mol.

When was 4,7-Dibromo-2,1,3-benzothiadiazole created?

4,7-Dibromo-2,1,3-benzothiadiazole was created on March 28, 2005.

What is the IUPAC name of 4,7-Dibromo-2,1,3-benzothiadiazole?

The IUPAC name of 4,7-Dibromo-2,1,3-benzothiadiazole is 4,7-dibromo-2,1,3-benzothiadiazole.

What is the InChI of 4,7-Dibromo-2,1,3-benzothiadiazole?

The InChI of 4,7-Dibromo-2,1,3-benzothiadiazole is InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H.

What is the InChIKey of 4,7-Dibromo-2,1,3-benzothiadiazole?

The InChIKey of 4,7-Dibromo-2,1,3-benzothiadiazole is FEOWHLLJXAECMU-UHFFFAOYSA-N.

What is the canonical SMILES of 4,7-Dibromo-2,1,3-benzothiadiazole?

The canonical SMILES of 4,7-Dibromo-2,1,3-benzothiadiazole is C1=C(C2=NSN=C2C(=C1)Br)Br.

What is the CAS number of 4,7-Dibromo-2,1,3-benzothiadiazole?

The CAS number of 4,7-Dibromo-2,1,3-benzothiadiazole is 15155-41-6.

How many hydrogen bond acceptors does 4,7-Dibromo-2,1,3-benzothiadiazole have?

4,7-Dibromo-2,1,3-benzothiadiazole has 3 hydrogen bond acceptors.

Is 4,7-Dibromo-2,1,3-benzothiadiazole a canonicalized compound?

Yes, 4,7-Dibromo-2,1,3-benzothiadiazole is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 273-13-2

• 15155-41-6

Reference: [1] Polymer, 2010, vol. 51, # 26, p. 6123 - 6131

Upstream Synthesis Route 2

• 273-77-8

• 15155-41-6

Reference: [1] Patent: US2013/74927, 2013, A1, . Location in patent: Paragraph 0274; 0275

Upstream Synthesis Route 3

• 273-13-2
• 298-06-6

• 15155-41-6

Reference: [1] Patent: EP1169741, 2014, B1, . Location in patent: Page/Page column

Upstream Synthesis Route 4

• 273-13-2

• 15155-41-6

Reference: [1]Polymer,2010,vol. 51,p. 6123 - 6131

Downstream Synthesis Route 1

• 15155-41-6
• 54663-78-4

• 165190-76-1

Reference: [1]Patent: WO2012/7834,2012,A1 .Location in patent: Page/Page column 11; 17-18

Downstream Synthesis Route 2

• 15155-41-6
• 37496-13-2

• 165190-76-1

Reference: [1]Beilstein Journal of Organic Chemistry,2017,vol. 13,p. 863 - 873
[2]Chemistry - A European Journal,1998,vol. 4,p. 1235 - 1243

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