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737758-35-9

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Basic Information
CAS No.: 737758-35-9
Name: 5-Isopropyl-2-methylbenzene-1-sulfonyl chloride
Article Data: 5
Molecular Structure:
Molecular Structure of 737758-35-9 (5-Isopropyl-2-methylbenzene-1-sulfonyl chloride)
Formula: C10H13ClO2S
Molecular Weight: 232.73
Synonyms: 5-Isopropyl-2-methylbenzenesulfonyl chloride;
Density: 1.209 g/cm3
Boiling Point: 310.1 °C at 760 mmHg
Flash Point: 141.3 °C
PSA: 42.52000
LogP: 4.12670
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  • 5-Isopropyl-2-methylbenzene-1-sulfonyl chloride

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  • 5-Isopropyl-2-methylbenzene-1-sulfonyl chloride

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    737758-35-9

    5-Isopropyl-2-methylbenzene-1-sulfonyl chloride

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Specification

The 5-Isopropyl-2-methylbenzene-1-sulfonyl chloride with the cas number 737758-35-9 is also called 5-Isopropyl-2-methylbenzenesulfonyl chloride. The systematic name is benzenesulfonyl chloride, 2-methyl-5-(1-methylethyl)-. Its molecular formula is C10H13ClO2S.

The properties of the chemical are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 444.08; (6)ACD/BCF (pH 7.4): 444.08; (7)ACD/KOC (pH 5.5): 2733.11; (8)ACD/KOC (pH 7.4): 2733.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 58.88 cm3; (15)Molar Volume: 192.4 cm3; (16)Polarizability: 23.34×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 52.89 kJ/mol; (19)Vapour Pressure: 0.00112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1S(=O)(=O)Cl)C(C)C
(2)InChI: InChI=1/C10H13ClO2S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3
(3)InChIKey: WIBZBTFTMHZXDC-UHFFFAOYAZ