6-Bromo-2-chlorobenzothiazole

• CAS: 80945-86-4
• Catalog Number: ACM80945864
• Category: Bromine Series
• Molecular Weight: 248.53
• Molecular Formula: C₇H₃BrClNS

Custom Q&A

What is the molecular formula of 6-Bromo-2-chlorobenzothiazole?

The molecular formula is C7H3BrClNS.

What is the molecular weight of 6-Bromo-2-chlorobenzothiazole?

The molecular weight is 248.53 g/mol.

What is the IUPAC Name of 6-Bromo-2-chlorobenzothiazole?

The IUPAC Name is 6-bromo-2-chloro-1,3-benzothiazole.

What is the InChI of 6-Bromo-2-chlorobenzothiazole?

The InChI is InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H.

What is the InChIKey of 6-Bromo-2-chlorobenzothiazole?

The InChIKey is IJQSMNIZBBEBKI-UHFFFAOYSA-N.

What is the Canonical SMILES of 6-Bromo-2-chlorobenzothiazole?

The Canonical SMILES is C1=CC2=C(C=C1Br)SC(=N2)Cl.

What is the CAS number of 6-Bromo-2-chlorobenzothiazole?

The CAS number is 80945-86-4.

What is the EC number of 6-Bromo-2-chlorobenzothiazole?

The EC number is 627-810-2.

What is the DSSTox Substance ID of 6-Bromo-2-chlorobenzothiazole?

The DSSTox Substance ID is DTXSID10365955.

Is 6-Bromo-2-chlorobenzothiazole a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 15864-32-1

• 80945-86-4

Reference: [1] Patent: US2015/225407, 2015, A1, . Location in patent: Paragraph 0416

Upstream Synthesis Route 2

• 62266-82-4

• 80945-86-4

Reference: [1] Patent: WO2007/146066, 2007, A2, . Location in patent: Page/Page column 88-89

Upstream Synthesis Route 3

• 15864-32-1

• 80945-86-4

Reference: [1]Patent: US2015/225407,2015,A1 .Location in patent: Paragraph 0416

Downstream Synthesis Route 1

• 80945-86-4
• 75-16-1

• 5304-21-2

Reference: [1] Patent: EP2351744, 2011, A1, . Location in patent: Page/Page column 71

Downstream Synthesis Route 2

• 80945-86-4
• 74-89-5

• 75104-92-6

Reference: [1]Patent: US2015/225407,2015,A1 .Location in patent: Paragraph 0416

Downstream Synthesis Route 3

• 80945-86-4

• 62266-82-4

Reference: [1]Journal of the Chemical Society,1930,p. 125,145

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