4-Ethynylbenzenesulfonamide supplier

Name
4-Ethynylbenzenesulfonamide
EINECS
CAS No. 1788-08-5
Article Data12
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point 178.0 to 182.0 °C
Formula C₈H₇NO₂S
Boiling Point 338.2 °C at 760 mmHg
Molecular Weight 181.215
Flash Point 158.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonamide,p-ethynyl- (7CI);4-Ethynylbenzenesulfonamide;benzenesulfonamide, 4-ethynyl-;
PSA 68.54000
LogP 2.09640

4-Ethynylbenzenesulfonamide Specification

The Benzenesulfonamide,4-ethynyl-, with the CAS registry number 1788-08-5, has the systematic name of 4-ethynylbenzenesulfonamide. It belongs to the product category of Sulfonamide. And the molecular formula of the chemical is C₈H₇NO₂S.

The characteristics of Benzenesulfonamide,4-ethynyl- are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.43; (6)ACD/BCF (pH 7.4): 1.43; (7)ACD/KOC (pH 5.5): 44.99; (8)ACD/KOC (pH 7.4): 44.85; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.54 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 46.25 cm³; (15)Molar Volume: 131.1 cm³; (16)Polarizability: 18.33×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 158.4 °C; (20)Enthalpy of Vaporization: 58.16 kJ/mol; (21)Boiling Point: 338.2 °C at 760 mmHg; (22)Vapour Pressure: 9.96E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C#Cc1ccc(cc1)S(=O)(=O)N
(2)InChI: InChI=1/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
(3)InChIKey: OQPUCENNUFNCQO-UHFFFAOYAY

Product Name

4-Ethynylbenzenesulfonamide

4-Ethynylbenzenesulfonamide Specification

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