4-(Trifluoromethylthio)phenol

CAS

825-83-2

Catalog Number

ACM825832

Category

Other Products

Molecular Weight

194.17

Molecular Formula

C₇H₅F₃OS

MSDS COA Spec Sheet

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Specification

Synonyms

4-(Trifluoromethyl)thiophenol, 4-Trifluoromethyl thiophenol, TL 00292, TL8006773, 825-83-2

IUPAC Name

4-(trifluoromethyl)benzenethiol

Canonical SMILES

C1=CC(=CC=C1C(F)(F)F)S

InChI Key

WCMLRSZJUIKVCW-UHFFFAOYSA-N

Boiling Point

68-72ºC

Melting Point

56-57ºC

Flash Point

66-68ºC

Density

1.3

Appearance

clear colorless to light yellow liquid

Exact Mass

178.00600

Hazard Statements

Xi:Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S37/39

Upstream Synthesis Route 1

402-43-7

825-83-2

Reference: [1]Location in patent: experimental part
Yi, Jun; Fu, Yao; Xiao, Bin; Cui, Wei-Chen; Guo, Qing-Xiang
[Tetrahedron Letters, 2011, vol. 52, # 2, p. 205 - 208]
[2]Garratt, Dennis G.; Beaulieu, Pierre L.
[Canadian Journal of Chemistry, 1980, vol. 58, # 24, p. 2738 - 2744]
[3]Yachandra; Hare; Moura; Spiro
[Journal of the American Chemical Society, 1983, vol. 105, # 21, p. 6455 - 6461]

Downstream Synthesis Route 1

825-83-2

20358-07-0

Reference: [1] Chemistry - A European Journal, 2015, vol. 21, # 8, p. 3211 - 3214

Downstream Synthesis Route 2

825-83-2

2991-42-6

Reference: [1] Green Chemistry, 2014, vol. 16, # 6, p. 3125 - 3131
[2] Tetrahedron Letters, 2010, vol. 51, # 2, p. 418 - 421

Downstream Synthesis Route 3

825-83-2
127-65-1

2991-42-6

Reference: [1] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 3051 - 3057

Downstream Synthesis Route 4

825-83-2

71947-62-1

Reference: [1]Iwasaki, Masayuki; Fujii, Tomoya; Yamamoto, Arisa; Nakajima, Kiyohiko; Nishihara, Yasushi
[Chemistry - An Asian Journal, 2014, vol. 9, # 1, p. 58 - 62]