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35762-73-3

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Basic Information
CAS No.: 35762-73-3
Name: 4,6-DIMETHYL-PYRIMIDINE-2-SULFONYL FLUORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 35762-73-3 (4,6-DIMETHYL-PYRIMIDINE-2-SULFONYL FLUORIDE)
Formula: C6H7FN2O2S
Molecular Weight: 190.1953832
Synonyms: 4,6-Dimethylpyrimidine-2-sulfonyl fluoride;4,6-Dimethylpyrimidine-2-sulphonyl fluoride;
Density: 1.366 g/cm3
Boiling Point: 363.5 °C at 760 mmHg
Flash Point: 173.6 °C
Hazard Symbols: CorrosiveC
PSA: 68.30000
LogP: 1.83240
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Specification

The 2-Pyrimidinesulfonylfluoride, 4,6-dimethyl- is an organic compound with the formula C6H7FN2O2S. The systematic name of this chemical is 4,6-Dimethylpyrimidine-2-sulfonyl fluoride. With the CAS registry number 35762-73-3, it is also named as 4,6-Dimethylpyrimidine-2-sulphonyl fluoride. Besides, its molecular weight is 190.1953832.

The physical properties of 2-Pyrimidinesulfonylfluoride, 4,6-dimethyl- are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 2.22; (6)ACD/KOC (pH 5.5): 61.61; (7)ACD/KOC (pH 7.4): 61.61; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.3 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 40.52 cm3; (13)Molar Volume: 139.1 cm3; (14)Polarizability: 16.06×10-24 cm3; (15)Surface Tension: 44.8 dyne/cm; (16)Density: 1.366 g/cm3; (17)Flash Point: 173.6 °C; (18)Enthalpy of Vaporization: 58.56 kJ/mol; (19)Boiling Point: 363.5 °C at 760 mmHg; (20)Vapour Pressure: 3.76E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C)nc(n1)S(=O)(F)=O
(2)InChI: InChI=1/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
(3)InChIKey: BPDMJOYLYBUPSI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
(5)Std. InChIKey: BPDMJOYLYBUPSI-UHFFFAOYSA-N