5-Chlorosulfonyl-4-methylisoquinoline supplier

Name
5-Chlorosulfonyl-4-methylisoquinoline
EINECS
CAS No. 194032-16-1
Article Data2
CAS DataBase
Density 1.424 g/cm³
Solubility
Melting Point 113-118 °C
Formula C₁₀H₈ClNO₂S
Boiling Point 388.141 °C at 760 mmHg
Molecular Weight 241.698
Flash Point 188.541 °C
Transport Information
Appearance Light Yellow to Tan Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Isoquinolinesulfonylchloride, 4-methyl-;4-Methyl-5-isoquinolinesulfonyl chloride;
PSA 55.41000
LogP 3.55150

5-Chlorosulfonyl-4-methylisoquinoline Specification

The 5-Chlorosulfonyl-4-methylisoquinoline, with the CAS registry number 194032-16-1, is also known as 5-Isoquinolinesulfonylchloride, 4-methyl-. It belongs to the product category of Sulfonyl Chlorides. This chemical's molecular formula is C₁₀H₈ClNO₂S and molecular weight is 241.69. What's more, its systematic name is 4-Methyl-5-isoquinolinesulfonyl chloride. Its storage temperature is -20°C under inert atmosphere.

Physical properties of 5-Chlorosulfonyl-4-methylisoquinoline are: (1)ACD/LogP: 1.748; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.41; (6)ACD/BCF (pH 7.4): 12.54; (7)ACD/KOC (pH 5.5): 210.48; (8)ACD/KOC (pH 7.4): 212.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 60.38 cm³; (15)Molar Volume: 169.704 cm³; (16)Polarizability: 23.936×10^-24cm³; (17)Surface Tension: 54.41 dyne/cm; (18)Density: 1.424 g/cm³; (19)Flash Point: 188.541 °C; (20)Enthalpy of Vaporization: 61.239 kJ/mol; (21)Boiling Point: 388.141 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2cccc1cncc(C)c12
(2)Std. InChI: InChI=1S/C10H8ClNO2S/c1-7-5-12-6-8-3-2-4-9(10(7)8)15(11,13)14/h2-6H,1H3
(3)Std. InChIKey: JHXVHTVZWRBEBJ-UHFFFAOYSA-N

Product Name

5-Chlorosulfonyl-4-methylisoquinoline

5-Chlorosulfonyl-4-methylisoquinoline Specification

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