Structure

2,3-Difluorobenzyl bromide

CAS
113211-94-2
Catalog Number
ACM113211942
Category
Bromine Series
Molecular Weight
207.02

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Specification

Hazard Statements
H225
RIDADR
UN 2920 3(8) / PGII
Symbol
GHS02
What is the IUPAC name of 2,3-Difluorobenzyl bromide?

The IUPAC name of 2,3-Difluorobenzyl bromide is 1-(bromomethyl)-2,3-difluorobenzene.

What is the molecular formula of 2,3-Difluorobenzyl bromide?

The molecular formula of 2,3-Difluorobenzyl bromide is C7H5BrF2.

What is the molecular weight of 2,3-Difluorobenzyl bromide?

The molecular weight of 2,3-Difluorobenzyl bromide is 207.01 g/mol.

What is the InChI of 2,3-Difluorobenzyl bromide?

The InChI of 2,3-Difluorobenzyl bromide is InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2.

What is the InChIKey of 2,3-Difluorobenzyl bromide?

The InChIKey of 2,3-Difluorobenzyl bromide is FTBSGSZZESQDBM-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3-Difluorobenzyl bromide?

The canonical SMILES of 2,3-Difluorobenzyl bromide is C1=CC(=C(C(=C1)F)F)CBr.

What is the CAS number of 2,3-Difluorobenzyl bromide?

The CAS number of 2,3-Difluorobenzyl bromide is 113211-94-2.

What is the EC number of 2,3-Difluorobenzyl bromide?

The EC number of 2,3-Difluorobenzyl bromide is 628-547-6.

What is the DSSTox Substance ID of 2,3-Difluorobenzyl bromide?

The DSSTox Substance ID of 2,3-Difluorobenzyl bromide is DTXSID20333761.

Is 2,3-Difluorobenzyl bromide a canonicalized compound?

Yes, 2,3-Difluorobenzyl bromide is a canonicalized compound.

Upstream Synthesis Route 1

  • 75853-18-8
  • 113211-94-2

Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 5, p. 1005 - 1009
[2] Patent: WO2014/140279, 2014, A1, . Location in patent: Page/Page column 88; 170

Upstream Synthesis Route 2

  • 4519-39-5
  • 113211-94-2

Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 5, p. 1005 - 1009

Upstream Synthesis Route 3

  • 75853-18-8
  • 113211-94-2

Reference: [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 1005 - 1009
[2]Patent: WO2014/140279,2014,A1 .Location in patent: Page/Page column 88; 170

Downstream Synthesis Route 1

  • 79-46-9
  • 113211-94-2
  • 2646-91-5

Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 27, p. 4535 - 4538

Downstream Synthesis Route 2

  • 3262-72-4
  • 113211-94-2
  • 616881-88-0

Reference: [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 6748 - 6762

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

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