Benzenesulfonylchloride, 3,5-dimethyl- supplier

Name
3,5-DIMETHYLBENZENESULFONYL CHLORIDE
EINECS -0
CAS No. 2905-27-3
Article Data3
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 90-94 °C(lit.)
Formula C₈H₉ClO₂S
Boiling Point 302.3 °C at 760 mmHg
Molecular Weight 204.677
Flash Point 136.6 °C
Transport Information
Appearance White to yellow crystalline powder
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms 3,5-Xylenesulfonylchloride (6CI,7CI);3,5-Dimethylbenzene-1-sulfonyl chloride;3,5-Dimethylbenzenesulfonyl chloride;3,5-dimethylbenzenesulfonyl chloride;Benzenesulfonyl chloride, 3,5-dimethyl-;
PSA 42.52000
LogP 3.31170

Benzenesulfonylchloride, 3,5-dimethyl- Specification

The Benzenesulfonylchloride, 3,5-dimethyl-, with the CAS registry number 2905-27-3, has the systematic name and IUPAC name of 3,5-dimethylbenzenesulfonyl chloride. It is a kind of white to yellow crystalline powder, and belongs to the following product categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of the chemical is C₈H₉ClO₂S.

The characteristics of Benzenesulfonylchloride, 3,5-dimethyl- are as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.41; (6)ACD/BCF (pH 7.4): 95.41; (7)ACD/KOC (pH 5.5): 909.12; (8)ACD/KOC (pH 7.4): 909.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 49.64 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 19.68×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 52.08 kJ/mol; (21)Boiling Point: 302.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00179 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)c1cc(cc(c1)C)C
(2)InChI: InChI=1/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
(3)InChIKey: LSAGRAXLOLZVKO-UHFFFAOYAM

Product Name

3,5-DIMETHYLBENZENESULFONYL CHLORIDE

Benzenesulfonylchloride, 3,5-dimethyl- Specification

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