Benzenethiol,2-chloro-4-fluoro-

CAS

175277-99-3

Catalog Number

ACM175277993

Category

Other Products

Molecular Weight

162.61

Molecular Formula

C₆H₄ClFS

MSDS COA Spec Sheet

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Specification

Synonyms

ZINC00167095, CID6933710, 175277-99-3

IUPAC Name

2-chloro-4-fluorobenzenethiolate

Canonical SMILES

C1=CC(=C(C=C1F)Cl)S

InChI Key

KUAPPJSILOMQPC-UHFFFAOYSA-M

Boiling Point

72ºC

Flash Point

86-88°C/15mm

Density

1.375g/cm³

Exact Mass

161.97100

Hazard Statements

Xi:Irritant/Stench;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26

Downstream Synthesis Route 1

175277-99-3
286377-24-0

286377-45-5

Reference: [1]Bosch, Joan; Roca, Tomàs; Catena, Juan-Lorenzo; Farrerons, Carles; Miquel, Ignasi
[Synthesis, 2000, # 5, p. 721 - 725]

Downstream Synthesis Route 2

1722-10-7
175277-99-3

454182-07-1

Reference: [1]Mylari, Banavara L.; Armento, Sandra J.; Beebe, David A.; Conn, Edward L.; Coutcher, James B.; Dina, Michael S.; O'Gorman, Melissa T.; Linhares, Michael C.; Martin, William H.; Oates, Peter J.; Tess, David A.; Withbroe, Gregory J.; Zembrowski, William J.
[Journal of Medicinal Chemistry, 2003, vol. 46, # 12, p. 2283 - 2286]
[2]Mylari, Banavara L.; Armento, Sandra J.; Beebe, David A.; Conn, Edward L.; Coutcher, James B.; Dina, Michael S.; O'Gorman, Melissa T.; Linhares, Michael C.; Martin, William H.; Oates, Peter J.; Tess, David A.; Withbroe, Gregory J.; Zembrowski, William J.
[Journal of Medicinal Chemistry, 2005, vol. 48, # 20, p. 6326 - 6339]

Downstream Synthesis Route 3

175277-99-3
643762-62-3

643762-63-4

Reference: [1]Liu, Luping; Stelmach, John E.; Natarajan, Swaminathan R.; Chen, Meng-Hsin; Singh, Suresh B.; Schwartz, Cheryl D.; Fitzgerald, Catherine E.; O'Keefe, Stephen J.; Zaller, Dennis M.; Schmatz, Dennis M.; Doherty, James B.
[Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 22, p. 3979 - 3982]

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

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