5-Bromo-2-hydroxybenzonitrile

• CAS: 40530-18-5
• Catalog Number: ACM40530185
• Category: Bromine Series
• Molecular Weight: 198.02
• Molecular Formula: C7H4BrNO
• Synonyms: 4-Bromo-2-cyanophenol, 5-Bromosalicylonitrile
• IUPAC Name: 5-bromo-2-hydroxybenzonitrile
• Canonical SMILES: C1=CC(=C(C=C1Br)C#N)O
• InChI: InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
• InChI Key: PVCONXMDUZOPJH-UHFFFAOYSA-N
• Boiling Point: 282.8±25.0 °C
• Melting Point: 158-163 °C
• Density: 1.79 g/ml

Custom Q&A

What is the PubChem CID of 5-Bromo-2-hydroxybenzonitrile?

PubChem CID 2757014

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

C7H4BrNO

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

198.02 g/mol

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

5-bromo-2-hydroxybenzonitrile

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

InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

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

PVCONXMDUZOPJH-UHFFFAOYSA-N

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

C1=CC(=C(C=C1Br)C#N)O

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

40530-18-5

What is the European Community (EC) number of 5-Bromo-2-hydroxybenzonitrile?

254-958-1

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

Yes

Synthetic Use

Upstream Synthesis Route 1

• 1761-61-1

• 40530-18-5

Reference: [1] Patent: EP2128136, 2009, A1, . Location in patent: Page/Page column 7

Upstream Synthesis Route 2

• 144649-99-0

• 40530-18-5

Reference: [1] Organic Letters, 2013, vol. 15, # 16, p. 4194 - 4197

Upstream Synthesis Route 3

• 82486-43-9

• 40530-18-5

Reference: [1] Synthetic Communications, 2013, vol. 43, # 13, p. 1778 - 1786
[2] Patent: CN106854174, 2017, A, . Location in patent: Paragraph 0020; 0023-0024
[3] Patent: CN106810513, 2017, A, . Location in patent: Paragraph 0020; 0023; 0024

Upstream Synthesis Route 4

• 1761-61-1

• 40530-18-5

Reference: [1]Current Patent Assignee: NIPPON ZOKI PHARMACEUTICAL CO., LTD - EP2128136, 2009, A1
Location in patent: Page/Page column 7

Upstream Synthesis Route 5

• 611-20-1

• 40530-18-5
• 40718-08-9
• 13073-28-4

Reference: [1]Journal of Organic Chemistry,1997,vol. 62,p. 4504 - 4506

Upstream Synthesis Route 6

• 611-20-1

• 40530-18-5
• 13073-28-4

Reference: [1]Journal of Organic Chemistry,1997,vol. 62,p. 4504 - 4506