4-Chlorosulfonylimidazole supplier

Name
4-Chlorosulfonylimidazole
EINECS
CAS No. 58767-51-4
Article Data3
CAS DataBase
Density 1.706 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₃H₃ClN₂O₂S
Boiling Point 418.2 °C at 760 mmHg
Molecular Weight 166.588
Flash Point 206.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3H-Imidazole-4-sulfonyl chloride;
PSA 71.20000
LogP 1.41800

4-Chlorosulfonylimidazole Specification

The 4-Chlorosulfonylimidazole, with the CAS registry number of 58767-51-4, is also known as 3H-Imidazole-4-sulfonyl chloride. This chemical's molecular formula is C₃H₃ClN₂O₂S. What's more, its systematic name is 1H-Imidazole-4-sulfonyl chloride.

Physical properties about the 4-Chlorosulfonylimidazole are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.49; (5)ACD/KOC (pH 7.4): 9.42; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 71.2 Å²; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 32.12 cm³; (12)Molar Volume: 97.6 cm³; (13)Surface Tension: 66.7 dyne/cm; (14)Density: 1.706 g/cm³; (15)Flash Point: 206.7 °C; (16)Enthalpy of Vaporization: 64.57 kJ/mol; (17)Boiling Point: 418.2 °C at 760 mmHg; (18)Vapour Pressure: 8.09E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cncn1
(2) InChI: InChI=1/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
(3) InChIKey: MXCZCMCHRWGSBX-UHFFFAOYAV

Product Name

4-Chlorosulfonylimidazole

4-Chlorosulfonylimidazole Specification

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