Name: PROPARGYL P-TOLUENESULFONATE
SKU: 16192-07-7

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Basic Information

Molecular Structure:
CAS No.:	16192-07-7
Name:	PROPARGYL P-TOLUENESULFONATE
Article Data:	9

Formula:	C₁₀H₁₀O₂S
Molecular Weight:	194.254
Synonyms:	Benzene,1-methyl-4-(2-propynylsulfonyl)- (9CI);Sulfone, 2-propynyl p-tolyl (8CI);1-Methyl-4-(2-propynylsulfonyl)benzene;3-(4-Tolylsulfonyl)propyne;Propargylp-toluenesulfonate;p-Tolyl prop-2-ynyl sulfone;
Density:	1.183 g/cm³
Boiling Point:	343.983 °C at 760 mmHg
Flash Point:	197.534 °C
Appearance:	Clear, colorless to yellow liquid.
Hazard Symbols:	R22:; R36/37/38:;
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
Safety:	26-36/37/39
PSA:	42.52000
LogP:	2.48270

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Specification

The Benzene,1-methyl-4-(2-propyn-1-ylsulfonyl)- is an organic compound with the formula C₁₀H₁₀O₂S. The IUPAC name of this chemical is 1-Methyl-4-prop-2-ynylsulfonylbenzene. With the CAS registry number 16192-07-7, it is also named as Propargylm-toluenesulfonate. Besides, its molecular weight is 194.2502.

Physical properties about Benzene,1-methyl-4-(2-propyn-1-ylsulfonyl)- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 8.49; (5)ACD/BCF (pH 7.4): 8.49; (6)ACD/KOC (pH 5.5): 160.92; (7)ACD/KOC (pH 7.4): 160.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52 Å²; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 51.88 cm³; (13)Molar Volume: 164.2 cm³; (14)Polarizability: 20.57×10^-24 cm³; (15)Surface Tension: 43.2 dyne/cm; (16)Density: 1.182 g/cm³; (17)Flash Point: 197.5 °C; (18)Enthalpy of Vaporization: 56.46 kJ/mol; (19)Boiling Point: 344 °C at 760 mmHg; (20)Vapour Pressure: 0.000135 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H10O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
(2)InChIKey: ZKABKQMDZXMAMW-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C10H10O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
(4)Std. InChIKey: ZKABKQMDZXMAMW-UHFFFAOYSA-N