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| CAS No.: | 64984-31-2 |
|---|---|
| Name: | PHENYLETHYNSULFONIC ACID AMIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H7NO2S |
| Molecular Weight: | 181.215 |
| Synonyms: | NSC 303580; |
| Density: | 1.39 g/cm3 |
| Melting Point: | 135.0 to 139.0 °C |
| Boiling Point: | 351.7 °C at 760 mmHg |
| Flash Point: | 166.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 68.54000 |
| LogP: | 2.06520 |
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- Total:34 Page 1 of 1 1
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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