1-Acetyl-5-indolinesulfonoyl chloride supplier

Name
1-ACETYL-2,3-DIHYDRO-1H-INDOLE-5-SULFONYL CHLORIDE
EINECS
CAS No. 52206-05-0
Article Data16
CAS DataBase
Density 1.463g/cm³
Solubility
Melting Point 172 °C
Formula C₁₀H₁₀ClNO₃S
Boiling Point 498.984 °C at 760 mmHg
Molecular Weight 259.713
Flash Point 255.577 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi; C
Synonyms 5-Indolinesulfonylchloride, 1-acetyl- (6CI,7CI);1-Acetyl-2,3-dihydro-1H-indole-5-sulfonylchloride;1-Acetyl-5-indolinesulfonyl chloride;
PSA 62.83000
LogP 2.66890

1-Acetyl-5-indolinesulfonoyl chloride Specification

The 1H-Indole-5-sulfonylchloride, 1-acetyl-2,3-dihydro-, with CAS registry number 52206-05-0, belongs to the following product category: Benzenesulfonyl chloride. It has the systematic name of 1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride. Besides this, it is also called 1-Acetylindoline-5-sulfonyl chloride. And the chemical formula of this chemical is C₁₀H₁₀ClNO₃S.

Physical properties of 1H-Indole-5-sulfonylchloride, 1-acetyl-2,3-dihydro-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 163; (8)ACD/KOC (pH 7.4): 163; (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: 1.602; (14)Molar Refractivity: 60.867 cm³; (15)Molar Volume: 177.493 cm³; (16)Polarizability: 24.13×10^-24cm³; (17)Surface Tension: 53.89 dyne/cm; (18)Density: 1.463 g/cm³; (19)Flash Point: 255.577 °C; (20)Enthalpy of Vaporization: 76.728 kJ/mol; (21)Boiling Point: 498.984 °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)c1cc2CCN(c2cc1)C(C)=O
(2)InChI: InChI=1/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
(3)InChIKey: QNFXLCHANYHGIF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
(5)Std. InChIKey: QNFXLCHANYHGIF-UHFFFAOYSA-N

Product Name

1-ACETYL-2,3-DIHYDRO-1H-INDOLE-5-SULFONYL CHLORIDE

1-Acetyl-5-indolinesulfonoyl chloride Specification

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