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Structure

2-Bromo-5-iodophenol

CAS
932372-99-1
Catalog Number
ACM932372991
Category
Other Products
Molecular Weight
0
Molecular Formula
C6H4BrIO

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Specification

Synonyms
2-BROMO-5-IODOPHENOL;2-Bromo-5-iodophenol 97%;2-Bromo-5-iodophenol97%
IUPAC Name
2-bromo-5-iodophenol
Canonical SMILES
C1=CC(=C(C=C1I)O)Br
InChI Key
VRITXTVQJJMQIT-UHFFFAOYSA-N
Boiling Point
285.054ºC at 760 mmHg
Flash Point
126.197ºC
Density
2.37 g/cm³
Exact Mass
297.84900
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 2-Bromo-5-iodophenol?

The molecular formula of 2-Bromo-5-iodophenol is C6H4BrIO.

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

The molecular weight of 2-Bromo-5-iodophenol is 298.90 g/mol.

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

The IUPAC name of 2-Bromo-5-iodophenol is 2-bromo-5-iodophenol.

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

The InChI of 2-Bromo-5-iodophenol is InChI=1S/C6H4BrIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H.

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

The InChIKey of 2-Bromo-5-iodophenol is VRITXTVQJJMQIT-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Bromo-5-iodophenol?

The canonical SMILES representation of 2-Bromo-5-iodophenol is C1=CC(=C(C=C1I)O)Br.

What other identifiers are associated with 2-Bromo-5-iodophenol?

The CAS number associated with 2-Bromo-5-iodophenol is 932372-99-1. It is also identified by EPA DSSTox Substance ID DTXSID40676369 and Wikidata Q72457582.

What is the XLogP3-AA value of 2-Bromo-5-iodophenol?

The XLogP3-AA value of 2-Bromo-5-iodophenol is 2.9.

How many hydrogen bond donor counts does 2-Bromo-5-iodophenol have?

2-Bromo-5-iodophenol has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Bromo-5-iodophenol have?

2-Bromo-5-iodophenol has 1 hydrogen bond acceptor count.

Upstream Synthesis Route 1

  • 755027-18-0
  • 932372-99-1

Reference: [1] Patent: WO2007/37187, 2007, A1, . Location in patent: Page/Page column 128

Downstream Synthesis Route 1

  • 932372-99-1
  • 43192-34-3

Reference: [1] Tetrahedron, 2005, vol. 61, # 27, p. 6590 - 6595

Downstream Synthesis Route 2

  • 932372-99-1
  • 77-78-1
  • 755027-18-0

Reference: [1] Tetrahedron, 2005, vol. 61, # 27, p. 6590 - 6595
[2] Angewandte Chemie - International Edition, 2018, vol. 57, # 9, p. 2450 - 2454[3] Angew. Chem., 2018, vol. 130, # 9, p. 2475 - 2479,5

Downstream Synthesis Route 3

  • 932372-99-1
  • 77-78-1
  • 755027-18-0

Reference: [1]Tetrahedron,2005,vol. 61,p. 6590 - 6595
[2]Angewandte Chemie - International Edition,2018,vol. 57,p. 2450 - 2454
Angew. Chem.,2018,vol. 130,p. 2475 - 2479,5

Downstream Synthesis Route 4

  • 932372-99-1
  • 43192-34-3

Reference: [1]Tetrahedron,2005,vol. 61,p. 6590 - 6595

Downstream Synthesis Route 5

  • 932372-99-1
  • 107-30-2
  • 932373-00-7

Reference: [1]Patent: WO2007/37187,2007,A1 .Location in patent: Page/Page column 128

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

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