2-(Trifluoromethyl)benzenethiol

Base Information

Chemical Name:2-(Trifluoromethyl)benzenethiol
CAS No.:13333-97-6
Molecular Formula:C7H5F3S
Molecular Weight:178.178
Hs Code.:29309090
European Community (EC) Number:625-464-7
DSSTox Substance ID:DTXSID20380699
Nikkaji Number:J2.164.159F
Wikidata:Q72513094
Mol file:13333-97-6.mol

Synonyms:2-(Trifluoromethyl)thiophenol;13333-97-6;2-(Trifluoromethyl)benzenethiol;2-(trifluoromethyl)benzene-1-thiol;2-trifluoromethyl-benzenethiol;MFCD00068896;2-Trifluoromethyl thiophenol;2-Mercaptobenzotrifluoride;2-trifluoromethylthiophenol;(trifluoromethyl)thiophenol;2trifluoromethylbenzenethiol;2-trifluoromethylbenzenethiol;SCHEMBL72183;2-trifluoromethyl benzenethiol;DTXSID20380699;BKFAWUWZHGONAZ-UHFFFAOYSA-N;Benzenethiol, 2-(trifluoromethyl)-;2-(Trifluoromethyl)benzenethiol, 96%;AKOS005254913;CS-W017340;PS-8558;FT-0608979;T2519;EN300-1939367;A806599;J-506686

Suppliers and Price of 2-(Trifluoromethyl)benzenethiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-(Trifluoromethyl)thiophenol
100mg
$ 45.00

TCI Chemical
2-(Trifluoromethyl)benzenethiol >97.0%(GC)(T)
1g
$ 38.00

TCI Chemical
2-(Trifluoromethyl)benzenethiol >97.0%(GC)(T)
5g
$ 109.00

SynQuest Laboratories
2-(Trifluoromethyl)thiophenol 97%
100 g
$ 525.00

SynQuest Laboratories
2-(Trifluoromethyl)thiophenol 97%
25 g
$ 173.00

SynQuest Laboratories
2-(Trifluoromethyl)thiophenol 97%
5 g
$ 77.00

Sigma-Aldrich
2-(Trifluoromethyl)benzenethiol 96%
1g
$ 65.60

Oakwood
2-(Trifluoromethyl)thiophenol
5g
$ 50.00

Oakwood
2-(Trifluoromethyl)thiophenol
25g
$ 185.00

Oakwood
2-(Trifluoromethyl)thiophenol
1g
$ 15.00

Total 61 raw suppliers

Chemical Property of 2-(Trifluoromethyl)benzenethiol

Chemical Property:

Appearance/Colour:light yellow liquid
Refractive Index:n20/D 1.499(lit.)
Boiling Point:177.424 °C at 760 mmHg
PKA:5.67±0.43(Predicted)
Flash Point:64.024 °C
PSA：38.80000
Density:1.314 g/cm³
LogP:2.99410
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Sensitive.:Stench
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:178.00640582
Heavy Atom Count:11
Complexity:132

Purity/Quality:

97% ^*data from raw suppliers

2-(Trifluoromethyl)thiophenol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(F)(F)F)S

Technology Process of 2-(Trifluoromethyl)benzenethiol

There total 3 articles about 2-(Trifluoromethyl)benzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 88-16-4
1-chloro-2-(trifluoromethyl)benzene

: 13333-97-6
o-trifluoromethylbenzenethiol

Guidance literature:: With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 110 ℃; for 20h; Inert atmosphere;
DOI:10.1002/adsc.201400941

Reference yield: 87.0%

: 392-83-6
o-trifluoromethylphenyl bromide

: 13333-97-6
o-trifluoromethylbenzenethiol

Guidance literature:: With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;
DOI:10.1002/adsc.201400941

Reference yield:

: 88-17-5
2-(trifluoromethyl)benzenamine

: 13333-97-6
o-trifluoromethylbenzenethiol

Guidance literature:: With hydrogenchloride; potassium ethyl xanthogenate; sodium nitrite; In water; 1.) 0-5 deg C; 2.) 70-80 deg C, 1 h;
DOI:10.1016/S0022-328X(96)06877-5