1H-Pyrazole-3-sulfonylchloride, 1-methyl- supplier

Name
1-METHYL-1H-PYRAZOLE-3-SULFONYL CHLORIDE
EINECS
CAS No. 89501-90-6
Article Data3
CAS DataBase
Density 1.605 g/cm³
Solubility
Melting Point
Formula C₄H₅ClN₂O₂S
Boiling Point 295.672 °C at 760 mmHg
Molecular Weight 180.615
Flash Point 132.618 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Methyl-1H-pyrazole-3-sulfonylchloride;1-Methylpyrazole-3-sulfonyl chloride;
PSA 60.34000
LogP 1.42840

1H-Pyrazole-3-sulfonylchloride, 1-methyl- Specification

The 1H-Pyrazole-3-sulfonylchloride, 1-methyl-, with the CAS registry number 89501-90-6, is also known as 1-Methyl-1H-pyrazole-3-sulfonyl chloride. This chemical's molecular formula is C₄H₅ClN₂O₂S and molecular weight is 180.6127. Its IUPAC name is called 1-methylpyrazole-3-sulfonyl chloride.

Physical properties of 1H-Pyrazole-3-sulfonylchloride, 1-methyl-: (1)ACD/LogP: 0.25; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 33; (5)ACD/KOC (pH 7.4): 33; (6)#H bond acceptors: 4; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.622; (9)Molar Refractivity: 39.605 cm³; (10)Molar Volume: 112.507 cm³; (11)Surface Tension: 57.885 dyne/cm; (12)Density: 1.605 g/cm³; (13)Flash Point: 132.618 °C; (14)Enthalpy of Vaporization: 51.396 kJ/mol; (15)Boiling Point: 295.672 °C at 760 mmHg; (16)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=CC(=N1)S(=O)(=O)Cl
(2)InChI: InChI=1S/C4H5ClN2O2S/c1-7-3-2-4(6-7)10(5,8)9/h2-3H,1H3
(3)InChIKey: TWLAHGNFQBQYEL-UHFFFAOYSA-N

Product Name

1-METHYL-1H-PYRAZOLE-3-SULFONYL CHLORIDE

1H-Pyrazole-3-sulfonylchloride, 1-methyl- Specification

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