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Pyrimidine,4-methyl-2-(methylsulfonyl)-

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Name

Pyrimidine,4-methyl-2-(methylsulfonyl)-

EINECS N/A
CAS No. 77166-01-9 Density 1.285 g/cm3
PSA 68.30000 LogP 1.26930
Solubility N/A Melting Point N/A
Formula C6H8N2O2S Boiling Point 346.9 °C at 760 mmHg
Molecular Weight 172.208 Flash Point 163.6 °C
Transport Information N/A Appearance N/A
Safety 28-45-60-61 Risk Codes 23/25-50/53
Molecular Structure Molecular Structure of 77166-01-9 (2-METHANESULFONYL-4-METHYL-PYRIMIDINE) Hazard Symbols ToxicT, DangerousN
Synonyms

2-Methanesulfonyl-4-methylpyrimidine;4-Methyl-2-methylsulfonylpyrimidine;

Article Data 3

Pyrimidine,4-methyl-2-(methylsulfonyl)- Specification

The Pyrimidine, 4-methyl-2-(methylsulfonyl)-, with the CAS registry number 77166-01-9, is also known as 2-Methanesulfonyl-4-methyl-pyrimidine. This chemical's molecular formula is C6H8N2O2S and molecular weight is 172.20. What's more, its systematic name is 4-Methyl-2-(methylsulfonyl)pyrimidine.

Physical properties about Pyrimidine, 4-methyl-2-(methylsulfonyl)- are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.61; (8)ACD/KOC (pH 7.4): 13.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.3 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 40.41 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 16.02×10-24 cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 163.6 °C; (20)Enthalpy of Vaporization: 56.78 kJ/mol; (21)Boiling Point: 346.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000112 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic by inhalation and if swallowed. Meanwhile, it is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. In addition, this material and its container must be disposed of as hazardous waste. Besides, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1nc(ccn1)C)C
(2) InChI: InChI=1/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3
(3) InChIKey: LWSFXJZBVVGVIO-UHFFFAOYAY

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