CAS No.50257-39-1,N-MESITYLENESULFONYLIMIDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50257-39-1
Name:	N-MESITYLENESULFONYLIMIDAZOLE

Formula:	C₁₂H₁₄N₂O₂S
Molecular Weight:	250.321
Synonyms:	1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-imidazole;1-(2,4,6-trimethylphenyl)sulfonylimidazole;1H-imidazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-;N-(Mesitylenesulfonyl)imidazole;1-[(2,4,6-trimethylphenyl)sulphonyl]-1H-imidazole;
EINECS:	256-507-4
Density:	1.23 g/cm³
Melting Point:	95-99 °C
Boiling Point:	432.7 °C at 760 mmHg
Flash Point:	215.5 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26-36
PSA:	60.34000
LogP:	3.12610

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Specification

The 1H-Imidazole,1-[(2,4,6-trimethylphenyl)sulfonyl]-, with the CAS registry number 50257-39-1 and EINECS registry number 256-507-4, has the systematic name of 1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-imidazole. It is a kind of white crystalline powder, and belongs to the following product categories: Biochemistry; Condensing Agents (DNA/RNA Synthesis); Nucleosides, Nucleotides & Related Reagents; Protecting Agents, Phosphorylating Agents & Condensing Agents. And the molecular formula of the chemical is C₁₂H₁₄N₂O₂S.

The characteristics of 1H-Imidazole,1-[(2,4,6-trimethylphenyl)sulfonyl]- are as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.93; (6)ACD/BCF (pH 7.4): 33.93; (7)ACD/KOC (pH 5.5): 433.75; (8)ACD/KOC (pH 7.4): 433.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.34 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 68.95 cm³; (15)Molar Volume: 201.9 cm³; (16)Polarizability: 27.33×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 215.5 °C; (20)Enthalpy of Vaporization: 68.85 kJ/mol; (21)Boiling Point: 432.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. 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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1c(cc(cc1C)C)C)n2ccnc2
(2)InChI: InChI=1/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3
(3)InChIKey: XFHVQSPNDDOABS-UHFFFAOYAM