2-Phenylbenzoxazole

• CAS: 833-50-1
• Catalog Number: ACM833501-1
• Category: Other Products
• Molecular Weight: 195.22
• Molecular Formula: C13H9NO
• Synonyms: 2-Phenylbenzo[d]oxazole; Benzoxazole, 2-phenyl-
• IUPAC Name: 2-phenyl-1,3-benzoxazole
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
• InChI: FIISKTXZUZBTRC-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
• Melting Point: 102-104 °C-lit.
• Appearance: Solid
• Complexity: 213
• Covalently-Bonded Unit Count: 1
• Exact Mass: 195.068413911
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 195.068413911
• NSC Number: 406946
• Octanol Water Partition Coefficient: 3.67 (LogP)
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 26 Ų

Custom Q&A

What is the chemical formula for 2-Phenylbenzoxazole?

The chemical formula for 2-Phenylbenzoxazole is C13H9NO.

What is the molecular weight of 2-Phenylbenzoxazole?

The molecular weight of 2-Phenylbenzoxazole is 195.22.

Is 2-Phenylbenzoxazole soluble in water?

No, 2-Phenylbenzoxazole is insoluble in water.

What is the melting point of 2-Phenylbenzoxazole?

The melting point of 2-Phenylbenzoxazole is 102-104 °C.

What is the hazard code associated with 2-Phenylbenzoxazole?

The hazard code associated with 2-Phenylbenzoxazole is Xi.

What is the color of 2-Phenylbenzoxazole?

The color of 2-Phenylbenzoxazole can range from white to light yellow to dark green.

What is the boiling point of 2-Phenylbenzoxazole?

The boiling point of 2-Phenylbenzoxazole is approximately 331.88°C.

What is the chemical property of 2-Phenylbenzoxazole?

The chemical property of 2-Phenylbenzoxazole is described as light yellow-beige crystalline powder.

What is the EPA Substance Registry System number for 2-Phenylbenzoxazole?

The EPA Substance Registry System number for 2-Phenylbenzoxazole is 833-50-1.

What are some of the product categories that 2-Phenylbenzoxazole falls under?

Some product categories that 2-Phenylbenzoxazole falls under include Building Blocks, Chemical Synthesis, and Heterocyclic Building Blocks.

Synthetic Use

Upstream Synthesis Route 1

• 1020-39-9

• 833-50-1

Reference: [1]Evindar, Ghotas; Batey, Robert A.
[Journal of Organic Chemistry, 2006, vol. 71, # 5, p. 1802 - 1808]

Upstream Synthesis Route 2

• 100-52-7
• 95-55-6

• 833-50-1

Reference: [1]Tang, Lin; Guo, Xuefeng; Yang, Yu; Zha, Zhenggen; Wang, Zhiyong
[Chemical Communications, 2014, vol. 50, # 46, p. 6145 - 6148]