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CAS No.: | 3240-35-5 |
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Name: | Benzenesulfonamide, 4-formyl- (9CI) |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C7H7NO3S |
Molecular Weight: | 185.203 |
Synonyms: | p-(Aminosulfonyl)benzaldehyde;4-Sulfamoylbenzaldehyde;Benzenesulfonamide,p-formyl- (7CI,8CI);p-Formylbenzenesulfonamide;p-Sulfamoylbenzaldehyde; |
Density: | 1.424 g/cm3 |
Melting Point: | 118-120 °C |
Boiling Point: | 392.7 °C at 760 mmHg |
Flash Point: | 191.3 °C |
PSA: | 85.61000 |
LogP: | 1.92760 |
Conditions | Yield |
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With formic acid; aluminum nickel Stephen reduction; | 86% |
With hydrogenchloride; diethyl ether und anschliessenden Behandeln mit einer Loesung von Zinn(II)-chlorid und Chlorwasserstoff in Aether; | |
With formic acid; nickel for 1h; Heating; | |
With formic acid |
4-(hydroxymethyl)benzenesulfonamide
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With Dess-Martin periodane In acetonitrile at 80℃; for 2h; | 83% |
With dipyridinium dichromate In tetrahydrofuran for 2h; Molecular sieve; | 55% |
With pyridinium chlorochromate In dichloromethane; acetone | 53% |
(4-(N-acetylsulfamoyl)phenyl)methylene diacetate
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With sulfuric acid In ethanol; water at 90℃; for 3h; Sealed tube; | 80% |
N-methoxy-N-methyl-(4-sulfamoyl)benzamide
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 20 - 50℃; for 7h; Reduction; | 52% |
4-[bis(acetyloxy)methyl]benzenesulfonamide
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With sulfuric acid; water In methanol Reflux; | 40% |
With sulfuric acid In ethanol; water for 2h; Reflux; | 12% |
With hydrogenchloride | |
With sulfuric acid | |
Stage #1: 4-[bis(acetyloxy)methyl]benzenesulfonamide With ethanol; sulfuric acid; water for 2.5h; Heating / reflux; Stage #2: With potassium carbonate In water; ethyl acetate |
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With LiAlH4 In tetrahydrofuran; methanol; chloroform | 16% |
Conditions | Yield |
---|---|
Trennung durch Ueberfuehren in das Anil; | |
Multi-step reaction with 2 steps 1: chromium(III) oxide; sulfuric acid / acetic acid / 5 - 10 °C 2: sulfuric acid; water / methanol / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: chromium(VI) oxide; sulfuric acid / 2.5 h / 0 - 5 °C 2: sulfuric acid / water; ethanol / 3 h / 90 °C / Sealed tube View Scheme | |
Multi-step reaction with 2 steps 1: sulfuric acid; chromium(VI) oxide / 4 h / 5 - 10 °C / Cooling with ice 2: sulfuric acid / water; ethanol / 2 h / Reflux View Scheme |
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With hydrogenchloride |
4-formyl-benzenesulfonamide
Conditions | Yield |
---|---|
With acetic acid |
Conditions | Yield |
---|---|
With water |
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The Benzenesulfonamide,4-formyl- is an organic compound with the formula C7H7NO3S. The IUPAC name of this chemical is 4-formylbenzenesulfonamide. With the CAS registry number 3240-35-5, it is also named as 4-sulfamoylbenzaldehyde. Besides, its molecular weight is 185.20 and it belongs to the class of Sulfonamide.
Physical properties about Benzenesulfonamide,4-formyl- are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.2; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.51; (7)ACD/KOC (pH 7.4): 30.38; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 62.83 Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 44.16 cm3; (14)Molar Volume: 130 cm3; (15)Polarizability: 17.5×10-24cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Density: 1.424 g/cm3; (18)Flash Point: 191.3 °C; (19)Enthalpy of Vaporization: 64.24 kJ/mol; (20)Boiling Point: 392.7 °C at 760 mmHg; (21)Vapour Pressure: 2.25E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N)c1ccc(C=O)cc1
(2)InChI: InChI=1/C7H7NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H,(H2,8,10,11)
(3)InChIKey: PCPUKVSTMLHXQF-UHFFFAOYAZ