CAS No.150374-99-5,4-CHLOROSULFONYLPHENYLPIVALATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	150374-99-5
Name:	4-CHLOROSULFONYLPHENYLPIVALATE
Article Data:	5

Formula:	C₁₁H₁₃ClO₄S
Molecular Weight:	276.741
Synonyms:	2,2-Dimethylpropanoic acid 4-(chlorosulfonyl)phenyl ester;p-Pivaloyloxybenzenesulfonyl chloride;
Density:	1.298 g/cm³
Melting Point:	83-87 °C
Boiling Point:	355.642 °C at 760 mmHg
Flash Point:	168.886 °C
PSA:	68.82000
LogP:	3.64640

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Specification

The 4-(Chlorosulfonyl)phenyl pivalate, with the CAS registry number 150374-99-5, is also known as 2,2-Dimethylpropanoic acid 4-(chlorosulfonyl)phenyl ester. This chemical's molecular formula is C₁₁H₁₃ClO₄S and molecular weight is 276.74. What's more, its systematic name is 4-(Chlorosulfonyl)phenyl pivalate.

Physical properties of 4-(Chlorosulfonyl)phenyl pivalate are: (1)ACD/LogP: 3.155; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 147.28; (6)ACD/BCF (pH 7.4): 147.28; (7)ACD/KOC (pH 5.5): 1240.42; (8)ACD/KOC (pH 7.4): 1240.42; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 65.412 cm³; (15)Molar Volume: 213.286 cm³; (16)Polarizability: 25.931×10^-24cm³; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 168.886 °C; (20)Enthalpy of Vaporization: 60.081 kJ/mol; (21)Boiling Point: 355.642 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)S(Cl)(=O)=O)C(C)(C)C
(2)Std. InChI: InChI=1S/C11H13ClO4S/c1-11(2,3)10(13)16-8-4-6-9(7-5-8)17(12,14)15/h4-7H,1-3H3
(3)Std. InChIKey: BSRSTUAZWZWGRT-UHFFFAOYSA-N