1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-methyl-2-oxo- supplier

Name
1-Methyl-2-oxo-5-indolinesulfonyl chloride
EINECS
CAS No. 166883-20-1
Article Data2
CAS DataBase
Density 1.509g/cm³
Solubility
Melting Point 154 °C
Formula C₉H₈ClNO₃S
Boiling Point 496.021 °C at 760 mmHg
Molecular Weight 245.686
Flash Point 253.785 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms 1-Methyl-2-oxo-5-indolinesulfonyl chloride;1-Methyl-2-oxoindoline-5-sulphonyl chloride;1-Methyl-2-oxoindoline-5-sulphonyl chloride 95%;1-Methyl-2-oxindole-5-sulphonyl chloride 95%;2,3-Dihydro-1-methyl-2-oxo-1H-indole-5-sulphonyl chloride, 5-(Chlorosulphonyl)-1-methylindolin-2-one;2,3-Dihydro-1-Methyl-2-oxo-1H-indol-5-sulfonyl chloride;1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-Methyl-2-oxo-
PSA 62.83000
LogP 2.27880

1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-methyl-2-oxo- Specification

The 1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-methyl-2-oxo-, with CAS registry number 166883-20-1, has the systematic name of 1-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C₉H₈ClNO₃S.

Physical properties of 1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-methyl-2-oxo-: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.83 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 56.236 cm³; (15)Molar Volume: 162.732 cm³; (16)Polarizability: 22.294×10^-24cm³; (17)Surface Tension: 53.85 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 253.785 °C; (20)Enthalpy of Vaporization: 76.37 kJ/mol; (21)Boiling Point: 496.021 °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)c1cc2CC(=O)N(C)c2cc1
(2)InChI: InChI=1/C9H8ClNO3S/c1-11-8-3-2-7(15(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3
(3)InChIKey: YFRKJJDSYAKRAU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H8ClNO3S/c1-11-8-3-2-7(15(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3
(5)Std. InChIKey: YFRKJJDSYAKRAU-UHFFFAOYSA-N

Product Name

1-Methyl-2-oxo-5-indolinesulfonyl chloride

1H-Indole-5-sulfonylchloride, 2,3-dihydro-1-methyl-2-oxo- Specification

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