2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

CAS

54090-08-3

Catalog Number

ACM54090083

Category

Other Products

Molecular Weight

279.06

Molecular Formula

C₇H₃Cl₂F₃O₂S

MSDS COA Spec Sheet

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Specification

Synonyms

2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride, 54090-08-3, 2-chloro-5-(trifluoromethyl)benzenesulfonylchloride, 2-Chloro-5-(Trifluoromethyl)Benzene-1-Sulfonyl Chloride, SBB005822, chloro[2-chloro-5-(trifluoromethyl)phenyl]sulfone, PubChem5106, ACMC-209lcy, AC1MC0R8, AC1Q4J3S, CTK1G9111, MolPort-000-146-912, ANW-31952, STL301685, AKOS001044540, AG-B-90379, AG-B-90383, MCULE-2307884623, AK115112, KB-68468

IUPAC Name

2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride

Canonical SMILES

C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl

InChI Key

ZEYKLMDPUOVUCR-UHFFFAOYSA-N

Boiling Point

117-119ºC (1 torr)

Flash Point

132.3ºC

Density

1.626g/cm³

Appearance

clear light yellow to yellow liquid

Exact Mass

277.91800

Hazard Statements

C:Corrosive;

H-Bond Acceptor

H-Bond Donor

Packing Group

Safety Description

S26-S36/37/39-S45

Upstream Synthesis Route 1

121-50-6

54090-08-3

Reference: [1]Gandel'sman,L.Z. et al.
[Soviet progress in chemistry, 1975, vol. 41, # 1, p. 57 - 61][Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1975, vol. 41, # 1, p. 61 - 66]
[2]Hua, Xue-Wen; Chen, Ming-Gui; Zhou, Shaa; Zhang, Dong-Kai; Liu, Ming; Zhou, Sha; Liu, Jing-Bo; Lei, Kang; Song, Hai-Bin; Li, Yong-Hong; Gu, Yu-Cheng; Li, Zheng-Ming
[RSC Advances, 2016, vol. 6, # 27, p. 23038 - 23047]
[3]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - US2019/169166, 2019, A1
Location in patent: Paragraph 0980; 0981

Downstream Synthesis Route 1

54090-08-3

18906-40-6

Reference: [1]Gandel'sman,L.Z. et al.
[Soviet progress in chemistry, 1975, vol. 41, # 1, p. 57 - 61][Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1975, vol. 41, # 1, p. 61 - 66]

Downstream Synthesis Route 2

54090-08-3

779-71-5

Reference: [1]Pitzer, Kevin K.; Werbovetz, Karl A.; Brendle, James J.; Scovill, John P.
[Journal of Medicinal Chemistry, 1998, vol. 41, # 24, p. 4885 - 4889]
[2]Boverie, Stéphane; Antoine, Marie-Hélène; Somers, Fabian; Becker, Bénédicte; Sebille, Sophie; Ouedraogo, Raogo; Counerotte, Stéphane; Pirotte, Bernard; Lebrun, Philippe; De Tullio, Pascal
[Journal of Medicinal Chemistry, 2005, vol. 48, # 10, p. 3492 - 3503]
[3]Gandel'sman,L.Z. et al.
[Soviet progress in chemistry, 1975, vol. 41, # 1, p. 57 - 61][Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1975, vol. 41, # 1, p. 61 - 66]
[4]Hua, Xue-Wen; Chen, Ming-Gui; Zhou, Shaa; Zhang, Dong-Kai; Liu, Ming; Zhou, Sha; Liu, Jing-Bo; Lei, Kang; Song, Hai-Bin; Li, Yong-Hong; Gu, Yu-Cheng; Li, Zheng-Ming
[RSC Advances, 2016, vol. 6, # 27, p. 23038 - 23047]

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