ChemicalBook--->CAS DataBase List--->136547-17-6

136547-17-6

136547-17-6 Structure

136547-17-6 Structure
IdentificationMore
[Name]

4-(Trifluoromethyl)-2-pyrimidinethiol
[CAS]

136547-17-6
[Synonyms]

2-MERCAPTO-4-(TRIFLUOROMETHYL)PYRIMIDINE
4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL
4-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL
AKOS B022179
ART-CHEM-BB B022179
BUTTPARK 27\08-66
4-(Trifluoromethyl)pyrimidine-2-thiol 97%
4-(Trifluoromethyl)pyrimidine-2-thiol97%
4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL 96%
[EINECS(EC#)]

625-180-3
[Molecular Formula]

C5H3F3N2S
[MDL Number]

MFCD00115113
[Molecular Weight]

180.15
[MOL File]

136547-17-6.mol
Chemical PropertiesBack Directory
[Appearance]

orange needle-like crystalline solid
[Melting point ]

164-166 °C (lit.)
[Boiling point ]

146.0±50.0 °C(Predicted)
[density ]

1.4933 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

4.96±0.10(Predicted)
[Sensitive ]

Stench
[InChI]

1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
[InChIKey]

HDGJASCXBNRLGA-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1ccnc(S)n1
[CAS DataBase Reference]

136547-17-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant/Stench
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

orange needle-like crystalline solid
[Uses]

4-(Trifluoromethyl)pyrimidine-2-thiol may be used in the preparation of [{Pt(bzq)(μ-L)}2] [Hbzq = benzo[h]quinolone, HL = 4-(trifluoromethyl)pyrimidine-2-thiol], a novel half-lantern divalent complex of platinum.
[General Description]

4-(Trifluoromethyl)pyrimidine-2-thiol is a heteroaromatic thioamide. Separation and quantification of a mixture of heteroaromatic thioamides (pyridine-2-thione, 5-trifluoromethylpyridine-2-thione, pyrimidine-2-thiol, 4-trifluoromethylpyrimidine-2-thiol) by capillary zone electrophoresis has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Trifluoromethyl)-2-pyrimidinethiol(136547-17-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Trifluoromethyl)-2-pyrimidinethiol, 96%(136547-17-6)
[Sigma Aldrich]

136547-17-6(sigmaaldrich)
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