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Structure

3-Chloro-4-fluorobenzyl bromide

CAS
192702-01-5
Catalog Number
ACM192702015
Category
Bromine Series
Molecular Weight
223.47
Molecular Formula
C7H4BrF3

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Specification

Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 3-Chloro-4-fluorobenzyl bromide?

The molecular formula of 3-Chloro-4-fluorobenzyl bromide is C7H5BrClF.

What is the molecular weight of 3-Chloro-4-fluorobenzyl bromide?

The molecular weight of 3-Chloro-4-fluorobenzyl bromide is 223.47 g/mol.

What is the IUPAC name of 3-Chloro-4-fluorobenzyl bromide?

The IUPAC name of 3-Chloro-4-fluorobenzyl bromide is 4-(bromomethyl)-2-chloro-1-fluorobenzene.

What is the InChI of 3-Chloro-4-fluorobenzyl bromide?

The InChI of 3-Chloro-4-fluorobenzyl bromide is InChI=1S/C7H5BrClF/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2.

What is the InChIKey of 3-Chloro-4-fluorobenzyl bromide?

The InChIKey of 3-Chloro-4-fluorobenzyl bromide is GGTQWWTYUKXFPP-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4-fluorobenzyl bromide?

The canonical SMILES of 3-Chloro-4-fluorobenzyl bromide is C1=CC(=C(C=C1CBr)Cl)F.

What is the CAS number of 3-Chloro-4-fluorobenzyl bromide?

The CAS number of 3-Chloro-4-fluorobenzyl bromide is 192702-01-5.

What is the EC number of 3-Chloro-4-fluorobenzyl bromide?

The EC number of 3-Chloro-4-fluorobenzyl bromide is 631-574-6.

Is 3-Chloro-4-fluorobenzyl bromide a canonicalized compound?

Yes, 3-Chloro-4-fluorobenzyl bromide is a canonicalized compound.

Upstream Synthesis Route 1

  • 161446-90-8
  • 192702-01-5

Reference: [1] Patent: US6737435, 2004, B1, . Location in patent: Page/Page column 17-18

Upstream Synthesis Route 2

  • 34328-61-5
  • 192702-01-5

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 24, p. 6842 - 6846
[2] Chemical Biology and Drug Design, 2016, p. 97 - 109

Upstream Synthesis Route 3

  • 1513-25-3
  • 192702-01-5

Reference: [1] Journal of medicinal chemistry, 1967, vol. 10, # 1, p. 64 - 66

Upstream Synthesis Route 4

  • 1513-25-3
  • 192702-01-5

Reference: [1]Journal of medicinal chemistry,1967,vol. 10,p. 64 - 66

Downstream Synthesis Route 1

  • 192702-01-5
  • 1068-90-2
  • 14937-92-9

Reference: [1]Journal of medicinal chemistry,1967,vol. 10,p. 64 - 66

Downstream Synthesis Route 2

  • 186202-57-3
  • 192702-01-5
  • 610779-90-3

Reference: [1]Patent: WO2003/82861,2003,A2 .Location in patent: Page/Page column 44

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

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