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CAS No.: | 55512-05-5 |
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Name: | Methanesulfonamide,N-(3-formylphenyl)- |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H9NO3S |
Molecular Weight: | 199.23 |
Synonyms: | 3-(Methanesulfonamido)benzaldehyde;3-(Methanesulfonylamino)benzaldehyde;3-(Methylsulfonamido)benzaldehyde;3-[(Methylsulfonyl)amino]benzaldehyde;N-(3-Formylphenyl)methanesulfonamide; |
Density: | 1.407 g/cm3 |
Melting Point: | 146 °C |
Boiling Point: | 348.6 °C at 760 mmHg |
Flash Point: | 164.6 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22 |
PSA: | 71.62000 |
LogP: | 2.02440 |
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The Methanesulfonamide,N-(3-formylphenyl)-, with the CAS registry number 55512-05-5, has the systematic name of N-(3-formylphenyl)methanesulfonamide. It belongs to the product category of Carbonyl Compounds. And the molecular formula of the chemical is C8H9NO3S.
The characteristics of Methanesulfonamide,N-(3-formylphenyl)- are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 58.81; (8)ACD/KOC (pH 7.4): 57.35; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 48.81 cm3; (15)Molar Volume: 141.5 cm3; (16)Polarizability: 19.35×10-24cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 164.6 °C; (20)Enthalpy of Vaporization: 59.3 kJ/mol; (21)Boiling Point: 348.6 °C at 760 mmHg; (22)Vapour Pressure: 4.99E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Nc1cc(ccc1)C=O)C
(2)InChI: InChI=1/C8H9NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h2-6,9H,1H3
(3)InChIKey: CBDSSTWZEANOCR-UHFFFAOYAL