5-Bromo-2-benzoxazolinone

• CAS: 14733-73-4
• Catalog Number: ACM14733734
• Category: Other Products; Bromine Series
• Molecular Weight: 214.02
• Molecular Formula: C₇H₄BrNO₂
• Synonyms: 5-Bromo-2-benzoxazolinone, 5-Bromo-2(3H)-benzoxazolone, 653454_ALDRICH, BRN 0136259, 2-BENZOXAZOLINONE, 5-BROMO-, CID26853, LS-42263, 4-27-00-02684 (Beilstein Handbook Reference), 14733-73-4
• IUPAC Name: 5-bromo-3H-1,3-benzoxazol-2-one
• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=O)O2
• InChI Key: DMHTZWJRUUOALC-UHFFFAOYSA-N
• Exact Mass: 212.94300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Reviews

May 23, 2023

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A useful organic intermediate.
The hydrogen atom in the third position of 5-Bromo-2-benzoxazolinone reacts with formaldehyde to synthesize functional compounds.

Custom Q&A

What is the molecular formula of 5-Bromo-2-benzoxazolinone?

The molecular formula of 5-Bromo-2-benzoxazolinone is C7H4BrNO2.

What is the molecular weight of 5-Bromo-2-benzoxazolinone?

The molecular weight of 5-Bromo-2-benzoxazolinone is 214.02 g/mol.

What is the IUPAC name of 5-Bromo-2-benzoxazolinone?

The IUPAC name of 5-Bromo-2-benzoxazolinone is 5-bromo-3H-1,3-benzoxazol-2-one.

What is the InChI of 5-Bromo-2-benzoxazolinone?

The InChI of 5-Bromo-2-benzoxazolinone is InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10).

What is the InChIKey of 5-Bromo-2-benzoxazolinone?

The InChIKey of 5-Bromo-2-benzoxazolinone is DMHTZWJRUUOALC-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-benzoxazolinone?

The canonical SMILES of 5-Bromo-2-benzoxazolinone is C1=CC2=C(C=C1Br)NC(=O)O2.

What is the CAS number of 5-Bromo-2-benzoxazolinone?

The CAS number of 5-Bromo-2-benzoxazolinone is 14733-73-4.

What is the EC number of 5-Bromo-2-benzoxazolinone?

The EC number of 5-Bromo-2-benzoxazolinone is 626-861-8.

What is the DSSTox Substance ID of 5-Bromo-2-benzoxazolinone?

The DSSTox Substance ID of 5-Bromo-2-benzoxazolinone is DTXSID50163679.

Is 5-Bromo-2-benzoxazolinone a canonicalized compound?

Yes, 5-Bromo-2-benzoxazolinone is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 40925-68-6
• 530-62-1

• 14733-73-4

Reference: [1] Patent: EP1719761, 2006, A1, . Location in patent: Page/Page column 26

Upstream Synthesis Route 2

• 1450-75-5

• 14733-73-4

Reference: [1] Advanced Synthesis and Catalysis, 2013, vol. 355, # 18, p. 3591 - 3596

Upstream Synthesis Route 3

• 3889-13-2

• 14733-73-4

Reference: [1] Journal of Medicinal Chemistry, 1967, vol. 10, p. 408 - 410

Upstream Synthesis Route 4

• 6329-74-4

• 14733-73-4

Reference: [1]Comptes rendus hebdomadaires des seances de l'Academie des sciences,1953,vol. 236,p. 635 - 637

Downstream Synthesis Route 1

• 14733-73-4
• 74-88-4

• 70672-82-1

Reference: [1]Patent: US2019/152954,2019,A1 .Location in patent: Paragraph 0350; 0352

Downstream Synthesis Route 2

• 6322-49-2
• 14733-73-4

• 13604-02-9

Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1966,vol. 33,p. 144 - 148

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