4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine
[CAS# 16097-63-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Methyl pyrimidine
• Name: 4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine
• Synonyms: NSC 64344
• Molecular Formula: C₆H₄ClF₃N₂S
• Molecular Weight: 228.62
• CAS Registry Number: 16097-63-5
• EC Number: 826-686-9

Properties

• Solubility: Very slightly soluble (0.15 g/L) (25 ºC), Calc.^*
• Density: 1.52±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 38-39 ºC (ethyl acetate ligroine )^**
• Boiling point: 83.5 ºC (9.3 Torr)^***
• Refractive index: 1.5050 (25 ºC)^***
• Flash point: 97.6±25.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Huang, Tong-Hui; ARKIVOC (Gainesville, FL, United States) 2011, (2), P1-17.

^*** Gershon, Herman; Journal of Heterocyclic Chemistry 1983, V20(1), P219-23.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H332
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2A	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H302