5-(4-Bromo-phenyl)-2H-tetrazole

• CAS: 50907-23-8
• Catalog Number: ACM50907238
• Category: Other
• Molecular Weight: 225.0473
• Molecular Formula: C7H5BrN4
• MDL Number: MFCD01651917
• Size: 1g,5g

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H5BrN4.

What is the molecular weight of the compound?

The molecular weight of the compound is 225.05 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-(4-bromophenyl)-2H-tetrazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).

What is the InChIKey of the compound?

The InChIKey of the compound is YMZMDMWMKVPGDP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1C2=NNN=N2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 50907-23-8.

What is the EC number of the compound?

The EC number of the compound is 622-704-2.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL1471025.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 25062-46-8

• 50907-23-8

Reference: [1] Synthesis (Germany), 2018, vol. 50, # 6, p. 1293 - 1300
[2] Synlett, 2016, vol. 27, # 8, p. 1241 - 1244
[3] Synlett, 2016, vol. 27, # 15, p. 2225 - 2228
[4] Tetrahedron Letters, 2016, vol. 57, # 5, p. 523 - 524

Upstream Synthesis Route 2

• 623-00-7

• 50907-23-8

Reference: [1] Journal of the Brazilian Chemical Society, 2012, vol. 23, # 12, p. 2197 - 2203

Upstream Synthesis Route 3

• 1122-91-4

• 50907-23-8

Reference: [1] Applied Organometallic Chemistry, 2018, vol. 32, # 4,
[2] Tetrahedron Letters, 2016, vol. 57, # 5, p. 523 - 524

Downstream Synthesis Route 1

• 50907-23-8
• 98-88-4

• 21510-43-0

Reference: [1]Wu, Cao; Zhong, Zhi-Ming; Li, Xiang-Gao; Xiao, Yin; Peng, Feng; Wang, Xue; Huang, Zhen-Qiang; Wang, Shi-Rong; Ying, Lei
[Dyes and Pigments, 2018, vol. 158, p. 20 - 27]
[2]Osipova, T. F.; Koldobskii, G. I.; Ostrovskii, V. A.
[Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 2248 - 2252][Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 11, p. 2468 - 2473]
[3]Osipova, T. P.; Koldobskii, G. I.; Ostrovskii, V. A.
[Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 5, p. 1018 - 1019][Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 5, p. 1119 - 1120]

Downstream Synthesis Route 2

• 50907-23-8
• 93-97-0

• 21510-43-0

Reference: [1]Myznikov, Yu. E.; Koldobskii, G. I.; Ostrovskii, B. A.; Poplavskii, V. S.
[Journal of general chemistry of the USSR, 1992, vol. 62, # 6.2, p. 1125 - 1128][Zhurnal Obshchei Khimii, 1992, vol. 62, # 6, p. 1367 - 1371]
[2]Location in patent: experimental part
Efimova; Artamonova; Koldobskii
[Russian Journal of Organic Chemistry, 2008, vol. 44, # 9, p. 1345 - 1347]

Downstream Synthesis Route 3

• 50907-23-8
• 98-88-4

• 21510-43-0

Reference: [1]Hou, Sijian; Chan, Wai Kin
[Macromolecules, 2002, vol. 35, # 3, p. 850 - 856]

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