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Ethynesulfonamide,2-phenyl-

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Name

Ethynesulfonamide,2-phenyl-

EINECS N/A
CAS No. 64984-31-2 Density 1.39 g/cm3
PSA 68.54000 LogP 2.06520
Solubility N/A Melting Point 135.0 to 139.0 °C
Formula C8H7NO2S Boiling Point 351.7 °C at 760 mmHg
Molecular Weight 181.215 Flash Point 166.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 64984-31-2 (PHENYLETHYNSULFONIC ACID AMIDE) Hazard Symbols HarmfulXn
Synonyms

NSC 303580;

Article Data 4

Ethynesulfonamide,2-phenyl- Specification

The Ethynesulfonamide,2-phenyl-, with CAS registry number 64984-31-2, belongs to the following product categories: (1)All Inhibitors; (2)Inhibitors; (3)Mutagenesis Research Chemicals; (4)Sulfur & Selenium Compounds. It has the systematic name of 2-phenylethynesulfonamide. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C8H7NO2S.

Physical properties of Ethynesulfonamide,2-phenyl-: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 19.41; (6)ACD/BCF (pH 7.4): 15.31; (7)ACD/KOC (pH 5.5): 290.52; (8)ACD/KOC (pH 7.4): 229.19; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 46.46 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 18.42×10-24cm3; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 166.5 °C; (20)Enthalpy of Vaporization: 59.64 kJ/mol; (21)Boiling Point: 351.7 °C at 760 mmHg; (22)Vapour Pressure: 4.03E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethynesulfonamide,2-phenyl- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(C#Cc1ccccc1)N
(2)InChI: InChI=1/C8H7NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,9,10,11)
(3)InChIKey: ZZUZYEMRHCMVTB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,9,10,11)
(5)Std. InChIKey: ZZUZYEMRHCMVTB-UHFFFAOYSA-N

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