3-tert-Butylbenzenesulphonyl chloride supplier

Name
3-Tert-butyl benzenesulfonyl chloride
EINECS
CAS No. 2905-26-2
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃ClO₂S
Boiling Point 301.9 °C at 760 mmHg
Molecular Weight 232.731
Flash Point 136.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-tert-butylbenzenesulfonyl chloride;Benzenesulfonyl chloride, 3-(1,1-dimethylethyl)-;3-tert-Butylbenzenesulfonyl chloride;
PSA 42.52000
LogP 3.99240

3-tert-Butylbenzenesulphonyl chloride Specification

The 3-Tert-butyl benzenesulfonyl chloride, with the CAS registry number 2905-26-2, is also called 3-(2-Methyl-2-propanyl)benzenesulfonyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₃ClO₂S.

The characteristics of 3-Tert-butyl benzenesulfonyl chloride are as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 365.95; (6)ACD/BCF (pH 7.4): 365.95; (7)ACD/KOC (pH 5.5): 2379.61; (8)ACD/KOC (pH 7.4): 2379.61; (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: 1.523; (14)Molar Refractivity: 58.92 cm³; (15)Molar Volume: 192.7 cm³; (16)Polarizability: 23.35×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 52.04 kJ/mol; (21)Boiling Point: 301.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00183 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)c1cccc(c1)C(C)(C)C
(2)InChI: InChI=1/C10H13ClO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3
(3)InChIKey: WZQSQOIYTVCFMP-UHFFFAOYAQ

Product Name

3-Tert-butyl benzenesulfonyl chloride

3-tert-Butylbenzenesulphonyl chloride Specification

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