3-Bromo-1H-indazole

• CAS: 40598-94-5
• Catalog Number: ACM40598945
• Category: Bromine Series
• Molecular Weight: 197.03
• Molecular Formula: C₇H₅BrN₂

Custom Q&A

What is the molecular formula of 3-Bromo-1H-indazole?

The molecular formula of 3-Bromo-1H-indazole is C7H5BrN2.

What is the molecular weight of 3-Bromo-1H-indazole?

The molecular weight of 3-Bromo-1H-indazole is 197.03 g/mol.

What is the IUPAC name of 3-Bromo-1H-indazole?

The IUPAC name of 3-Bromo-1H-indazole is 3-bromo-2H-indazole.

What is the InChI of 3-Bromo-1H-indazole?

The InChI of 3-Bromo-1H-indazole is InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10).

What is the InChIKey of 3-Bromo-1H-indazole?

The InChIKey of 3-Bromo-1H-indazole is HTKXRTUKPXEALT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-1H-indazole?

The canonical SMILES of 3-Bromo-1H-indazole is C1=CC2=C(NN=C2C=C1)Br.

What is the CAS number of 3-Bromo-1H-indazole?

The CAS number of 3-Bromo-1H-indazole is 40598-94-5.

What is the European Community (EC) number of 3-Bromo-1H-indazole?

The European Community (EC) number of 3-Bromo-1H-indazole is 687-051-8.

What is the ChEMBL ID of 3-Bromo-1H-indazole?

The ChEMBL ID of 3-Bromo-1H-indazole is CHEMBL1482381.

Is 3-Bromo-1H-indazole a canonicalized compound?

Yes, 3-Bromo-1H-indazole is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 271-44-3

• 40598-94-5

Reference: [1] RSC Advances, 2016, vol. 6, # 93, p. 90031 - 90034

Upstream Synthesis Route 2

• 2596-89-6

• 40598-94-5

Reference: [1] Chemische Berichte, 1899, vol. 32, p. 1799[2] Justus Liebigs Annalen der Chemie, 1899, vol. 305, p. 354 Anm. 10

Upstream Synthesis Route 3

• 2596-89-6
• 10035-10-6

• 271-44-3
• 53857-57-1
• 40598-94-5
• 40598-76-3

Reference: [1] Chemische Berichte, 1899, vol. 32, p. 1781

Upstream Synthesis Route 4

• 2596-89-6

• 40598-94-5

Reference: [1]Chemische Berichte,1899,vol. 32,p. 1799
Justus Liebigs Annalen der Chemie,1899,vol. 305,p. 354 Anm. 10

Downstream Synthesis Route 1

• 40598-94-5
• 108-94-1

• 144730-61-0

Reference: [1]Synthesis,1992,p. 937 - 939

Downstream Synthesis Route 2

• 40598-94-5
• 100-52-7

• 33100-54-8

Reference: [1]Synthesis,1992,p. 937 - 939

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