| Identification | More | [Name]
5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid | [CAS]
61727-33-1 | [Synonyms]
5-CHLORO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLIC ACID
5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID
AKOS BBS-00000276
BUTTPARK 97\18-95
5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CAR&
5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 98% | [EINECS(EC#)]
626-210-8 | [Molecular Formula]
C6H5ClN2O2S | [MDL Number]
MFCD00173907 | [Molecular Weight]
204.63 | [MOL File]
61727-33-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
165 °C (dec.) | [Boiling point ]
396.4±22.0 °C(Predicted) | [density ]
1.59±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
1.20±0.25(Predicted) | [color ]
Light yellow to Yellow to Orange | [InChI]
InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11) | [InChIKey]
SEPCYCDQJZTPHO-UHFFFAOYSA-N | [SMILES]
C1(SC)=NC=C(Cl)C(C(O)=O)=N1 | [CAS DataBase Reference]
61727-33-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes.
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
2933599590 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
5-Chloro-2-(methylthio)-4-pyrimidinecarboxylic acid is a synthetic intermediate in the preparation of GSK3β inhibitors and non-nucleoside reverse transcriptase inhibitors for treating HIV infection. | [Synthesis]
Dissolve S-methylthiourea sulfate (30.0 g) in a warm solution of viscochloric acid (18.3 g) in water (430 mL) and cool to 18°C. .
Triethylamine (33.0 g) was added over 1.5 hours with mechanical stirring. The next day a little concentrated hydrochloric aci |
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