CAS No.342405-38-3,5-METHYL-1-PHENYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	342405-38-3
Name:	5-METHYL-1-PHENYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

Formula:	C₁₀H₉ClN₂O₂S
Molecular Weight:	256.71
Synonyms:	1-Phenyl-5-methyl-1H-pyrazole-4-sulfonylchloride;5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride;5-Methyl-1-phenylpyrazol-4-sulfonylchloride;
Density:	1.41g/cm³
Melting Point:	57 °C
Boiling Point:	388.841 °C at 760 mmHg
Flash Point:	188.964 °C
Hazard Symbols:	Xi
Risk Codes:	C:Corrosive; "> C:Corrosive;
PSA:	60.34000
LogP:	3.18900

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Specification

The 1H-Pyrazole-4-sulfonylchloride, 5-methyl-1-phenyl-, with the CAS registry number of 342405-38-3, is also known as 5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride and 5-Methyl-1-phenyl-1H-pyrazole-4-sulphonyl chloride. This chemical's molecular formula is C₁₀H₉ClN₂O₂S and molecular weight is 256.71. What's more, its IUPAC name is 5-Methyl-1-phenylpyrazole-4-sulfonyl chloride.

Physical properties about 1H-Pyrazole-4-sulfonylchloride, 5-methyl-1-phenyl- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.562; (4)ACD/LogD (pH 7.4): 1.562; (5)ACD/BCF (pH 5.5): 9.064; (6)ACD/BCF (pH 7.4): 9.064; (7)ACD/KOC (pH 5.5): 168.602; (8)ACD/KOC (pH 7.4): 168.602; (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: 1.635; (14)Molar Refractivity: 64.71 cm³; (15)Molar Volume: 180.837 cm³; (16)Surface Tension: 52.683 dyne/cm; (17)Density: 1.42 g/cm³; (18)Flash Point: 188.964 °C; (19)Enthalpy of Vaporization: 61.315 kJ/mol; (20)Boiling Point: 388.841 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cnn1c2ccccc2)S(=O)(=O)Cl
(2) InChI: InChI=1/C10H9ClN2O2S/c1-8-10(16(11,14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3
(3) InChIKey: IRJCRNZTDRODFQ-UHFFFAOYAP