2-Trifluoromethyl thiophenol

CAS

13333-97-6

Catalog Number

ACM13333976

Category

Other Products

Molecular Weight

178.17

Molecular Formula

C₇H₅F₃S

MSDS COA Spec Sheet

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Specification

Synonyms

2-(Trifluoromethyl)benzenethiol, 13333-97-6, 2-(Trifluoromethyl)thiophenol, 2-Trifluoromethyl thiophenol, 2-Mercaptobenzotrifluoride, 2-trifluoromethylthiophenol, SBB066490, 2-(trifluoromethyl)benzene-1-thiol, PubChem6860, ACMC-209brx, AC1MCS2B, SureCN72183, 2-(trifluoromethylthio)phenol, 542660_ALDRICH, CTK3J0579, MolPort-000-147-016, ANW-19531, AKOS005254913, AG-D-67881, RP23941

IUPAC Name

2-(trifluoromethyl)benzenethiol

Canonical SMILES

C1=CC=C(C(=C1)C(F)(F)F)S

InChI Key

XVGQHRKNXSUPEF-UHFFFAOYSA-N

Boiling Point

50-177ºC(15 torr)

Flash Point

68ºC

Density

1.35

Appearance

light yellow liquid

Exact Mass

178.00600

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

H-Bond Donor

Safety Description

S36/37

WGK Germany

Upstream Synthesis Route 1

392-83-6

13333-97-6

Reference: [1]Advanced Synthesis and Catalysis,2015,vol. 357,p. 2205 - 2212
[2]Patent: KR2017/76524,2017,A .Location in patent: Paragraph 0032; 0033; 0063; 0067; 0069; 0070; 0074
[3]Canadian Journal of Chemistry,1980,vol. 58,p. 2738 - 2744