2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole

• CAS: 21510-43-0
• Catalog Number: ACM21510430-1
• Category: Organic & Printed Electronics
• Molecular Weight: 301.14
• Molecular Formula: C6H5C2N2OC6H4Br
• Synonyms: 1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-phenyl-;2-(4-BROMOPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE;2-(4-BROMOPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE, 98+%;2-Phenyl-5-(4-bromophenyl)-1,3,4-oxadiazole
• IUPAC Name: 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole
• Canonical SMILES: Brc1ccc(cc1)-c2nnc(o2)-c3ccccc3
• InChI: 1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
• InChI Key: CNLVYZSUMYQALH-UHFFFAOYSA-N
• Melting Point: 167-171 °C (lit.)
• Application: This product is suitable for scientific research.
• Storage: room temp
• Assay: 96%
• Complexity: 263
• Covalently-Bonded Unit Count: 1
• EC Number: 244-413-6
• Exact Mass: 299.98983g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD00050997
• Monoisotopic Mass: 299.98983g/mol
• NACRES: NA.23
• NSC Number: 89572
• Packaging: 1, 5 g in glass bottle
• PubChem ID: 24879342
• Quality Level: 100
• Rotatable Bond Count: 2
• XLogP3: 3.8

Custom Q&A

What is the IUPAC name?

The IUPAC name is 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole.

What is the molecular weight?

The molecular weight is 301.14.

What is the molecular formula?

The molecular formula is C6H5C2N2OC6H4Br.

What is the SMILES notation?

The SMILES notation is Brc1ccc(cc1)-c2nnc(o2)-c3ccccc3.

What is the melting point?

The melting point is 167-171 °C.

What is the category?

The category is Halogen Functional Groups.

What is the storage recommendation for the product?

The storage recommendation for the product is room temp.

What is the assay percentage?

The assay percentage is 96%.

What are some features and benefits?

Some features and benefits include high quality products, fast delivery, and the ability to order additional products.

What is the PubChemID?

The PubChemID is 24879342.

Synthetic Use

Upstream Synthesis Route 1

• 6781-60-8

• 21510-43-0

Reference: [1]Grenz, David C.; Rose, Daniel; Wössner, Jan S.; Wilbuer, Jennifer; Adler, Florin; Hermann, Mathias; Chan, Chin-Yiu; Adachi, Chihaya; Esser, Birgit
[Chemistry - A European Journal, 2022, vol. 28, # 6]

Upstream Synthesis Route 2

• 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]

Upstream Synthesis Route 3

• 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]