Structure

4-Chlorophenyl trifluoromethanesulfonate

CAS
29540-84-9
Catalog Number
ACM29540849
Category
Other Products
Molecular Weight
260.62
Molecular Formula
C7H4ClF3O3S

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Specification

Synonyms
4-CHLOROPHENYL TRIFLUOROMETHANESULFONATE;4-CHLOROPHENYL TRIFLUOROMETHANESULPHONATE;4-Chlorophenyl trifluoromethanesulphonate 97%;4-Chlorophenyltrifluoromethanesulphonate97%
IUPAC Name
(4-chlorophenyl) trifluoromethanesulfonate
SMILES
C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)Cl
InChI Key
NIIJLHLBNABUFL-UHFFFAOYSA-N
Boiling Point
270.6ºC at 760mmHg
Flash Point
117.4ºC
Density
1.6g/cm³
Exact Mass
259.95200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
6
H-Bond Donor
0
Safety Description
26-36/37/39

Upstream Synthesis Route 1

  • 358-23-6
  • 106-48-9
  • 29540-84-9

Reference: [1]Jutand, Anny; Negri, Serge; Mosleh, Adil
[Journal of the Chemical Society. Chemical communications, 1992, # 23, p. 1729 - 1730]
[2]Jutand, Anny; Mosleh, Adil
[Journal of Organic Chemistry, 1997, vol. 62, # 2, p. 261 - 274]

Downstream Synthesis Route 1

  • 29540-84-9
  • 98-80-6
  • 17763-78-9

Reference: [1] Journal of the American Chemical Society, 2000, vol. 122, # 17, p. 4020 - 4028

Downstream Synthesis Route 2

  • 29540-84-9
  • 960-16-7
  • 17763-78-9

Reference: [1] Journal of the American Chemical Society, 2002, vol. 124, # 22, p. 6343 - 6348

Downstream Synthesis Route 3

  • 29540-84-9
  • 934-56-5
  • 17763-78-9
  • 2051-62-9

Reference: [1] Angewandte Chemie - International Edition, 2011, vol. 50, # 35, p. 8192 - 8195

Downstream Synthesis Route 4

  • 124-38-9
  • 29540-84-9
  • 74-11-3

Reference: [1]Bhunia, Samir Kumar; Das, Pritha; Nandi, Shantanu; Jana, Ranjan
[Organic Letters, 2019, vol. 21, # 12, p. 4632 - 4637]
[2]Jutand, Anny; Negri, Serge; Mosleh, Adil
[Journal of the Chemical Society. Chemical communications, 1992, # 23, p. 1729 - 1730]
[3]Jutand, Anny; Négri, Serge
[European Journal of Organic Chemistry, 1998, # 9, p. 1811 - 1821]
[4]Shimomaki, Katsuya; Nakajima, Tomoya; Caner, Joaquim; Toriumi, Naoyuki; Iwasawa, Nobuharu
[Organic Letters, 2019, vol. 21, # 12, p. 4486 - 4489]

Downstream Synthesis Route 5

  • 29540-84-9
  • 98-80-6
  • 2051-62-9

Reference: [1]Ishikawa, Shunpei; Manabe, Kei
[Tetrahedron, 2010, vol. 66, # 1, p. 297 - 303]

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

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