4-(Trifluoromethyl)phenylmethanethiol

Base Information

Chemical Name:4-(Trifluoromethyl)phenylmethanethiol
CAS No.:108499-24-7
Molecular Formula:C8H7F3S
Molecular Weight:192.205
Hs Code.:2930909090
European Community (EC) Number:802-635-6
DSSTox Substance ID:DTXSID40375764
Nikkaji Number:J2.873.778E
Wikidata:Q82164432
Mol file:108499-24-7.mol

Synonyms:108499-24-7;4-(trifluoromethyl)phenylmethanethiol;[4-(trifluoromethyl)phenyl]methanethiol;4-Trifluoromethylbenzyl mercaptan;Benzenemethanethiol, 4-(trifluoromethyl)-;4-(trifluoromethyl)benzyl mercaptan;(4-(trifluoromethyl)phenyl)methanethiol;C8H7F3S;SCHEMBL3073275;DTXSID40375764;SLLFVTOOYVXCPG-UHFFFAOYSA-N;GEO-02384;MFCD06798015;AKOS005254948;AT13673;FS-1785;1-(Mercaptomethyl)-4-(trifluoromethyl)benzene;4-trifluoromethylbenzyl mercaptan, AldrichCPR;EN300-190391

Suppliers and Price of 4-(Trifluoromethyl)phenylmethanethiol

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
4-(Trifluoromethyl)benzylMercaptan
100mg
$ 60.00

TRC
4-(Trifluoromethyl)benzylMercaptan
50mg
$ 45.00

American Custom Chemicals Corporation
4-TRIFLUOROMETHYLBENZYL MERCAPTAN 97.00%
25G
$ 2194.50

American Custom Chemicals Corporation
4-TRIFLUOROMETHYLBENZYL MERCAPTAN 97.00%
5G
$ 1885.88

American Custom Chemicals Corporation
4-TRIFLUOROMETHYLBENZYL MERCAPTAN 97.00%
10G
$ 1603.14

American Custom Chemicals Corporation
4-TRIFLUOROMETHYLBENZYL MERCAPTAN 97.00%
2.5G
$ 1445.42

American Custom Chemicals Corporation
4-TRIFLUOROMETHYLBENZYL MERCAPTAN 97.00%
1G
$ 968.97

Ambeed
[4-(Trifluoromethyl)phenyl]methanethiol 95%
5g
$ 122.00

Ambeed
[4-(Trifluoromethyl)phenyl]methanethiol 95%
1g
$ 35.00

Ambeed
[4-(Trifluoromethyl)phenyl]methanethiol 95%
250mg
$ 15.00

Total 8 raw suppliers

Chemical Property of 4-(Trifluoromethyl)phenylmethanethiol

Chemical Property:

Boiling Point:207.8±35.0 °C(Predicted)
PKA:9.04±0.10(Predicted)
PSA：38.80000
Density:1.253±0.06 g/cm3(Predicted)
LogP:3.13520
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.02205588
Heavy Atom Count:12
Complexity:136

Purity/Quality:

98%min ^*data from raw suppliers

4-(Trifluoromethyl)benzylMercaptan ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/22-43
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CS)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)phenylmethanethiol

There total 2 articles about 4-(Trifluoromethyl)phenylmethanethiol 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:

: 108499-24-7
(4-(trifluoromethyl)phenyl)methanethiol

Guidance literature:: 4-CF₃-benzyl halide; With thiourea; In ethanol; Heating;

With water; sodium hydroxide;
DOI:10.1002/ardp.200800227

Reference yield:

: 108499-24-7
(4-(trifluoromethyl)phenyl)methanethiol

Guidance literature:

Reference yield: 96.0%

: 108499-24-7
(4-(trifluoromethyl)phenyl)methanethiol

: 106-96-7
propargyl bromide

: prop-2-yn-1-yl(4-(trifluoromethyl)benzyl)sulfane

Guidance literature:: [4-(trifluoromethyl)phenyl]methanethiol; With potassium hydroxide; In methanol; at 5 ℃; for 0.583333h; Inert atmosphere;

propargyl bromide; In methanol; at 5 - 20 ℃; for 2.33333h;