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

Name
5-Isopropyl-2-methylbenzene-1-sulfonyl chloride
EINECS
CAS No. 737758-35-9
Article Data5
CAS DataBase
Density 1.209 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃ClO₂S
Boiling Point 310.1 °C at 760 mmHg
Molecular Weight 232.73
Flash Point 141.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Isopropyl-2-methylbenzenesulfonyl chloride;
PSA 42.52000
LogP 4.12670

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

Product Name

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

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

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