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CAS No.: | 4273-98-7 |
---|---|
Name: | 2-(Phenylsulfonyl)aniline |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C12H11NO2S |
Molecular Weight: | 233.291 |
Synonyms: | Aniline,o-(phenylsulfonyl)- (6CI,7CI,8CI);2-(Phenylsulfonyl)benzenamine;2-Aminodiphenyl sulfone;2-Aminophenyl phenylsulfone;C.I. 37060;C.I. Azoic Diazo Component 18;Diazo Fast Orange LG;FastOrange LG Salt;Fast Orange Salt LG;Fast Red RC Base;o-Aminophenyl phenyl sulfone; |
EINECS: | 224-271-1 |
Density: | 1.295 g/cm3 |
Melting Point: | 118-122 °C |
Boiling Point: | 439.6 °C at 760 mmHg |
Flash Point: | 219.7 °C |
Appearance: | off-white to beige powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 36/37/39-26 |
PSA: | 68.54000 |
LogP: | 3.76360 |
Conditions | Yield |
---|---|
With urea hydrogen peroxide adduct In ethanol at 20℃; for 0.25h; | 98% |
Conditions | Yield |
---|---|
With aluminium trichloride for 0.0166667h; Fries rearrangement; Irradiation; | 95% |
1-nitro-2-(phenylsulfonyl)benzene
2-aminophenyl phenyl sulfone
Conditions | Yield |
---|---|
With iron; acetic acid at 70℃; for 3h; | 92% |
With hydrogenchloride; iron In ethanol; water 1.) 75-80 deg C, 40 min 2.) reflux, 2 h; | 77.6% |
With hydrogenchloride; iron |
Conditions | Yield |
---|---|
With potassium phosphate; copper(l) iodide; (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide In dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere; | 72% |
N-phenylbenzenesulfonamide
A
p-aminophenyl phenyl sulfone
B
2-aminophenyl phenyl sulfone
C
aniline
Conditions | Yield |
---|---|
With β‐cyclodextrin In water Product distribution; Irradiation; other solvents, absence of cyclodextrin and/or solvent; | A 62.4% B 21.4% C 17.9% |
Fries rearrangement; Irradiation; electron beam; | A 10 % Chromat. B 24 % Chromat. C n/a |
Conditions | Yield |
---|---|
With dihydrogen peroxide; copper diacetate In water at 20℃; for 2h; Reagent/catalyst; Green chemistry; | 47% |
N-phenylbenzenesulfonamide
A
biphenyl
B
p-aminophenyl phenyl sulfone
C
2-aminophenyl phenyl sulfone
D
4-Aminobiphenyl
E
2-phenylaniline
F
aniline
Conditions | Yield |
---|---|
at 300℃; for 15h; Mechanism; other substrate, also in the presence of isoquinoline or aniline; | A 17.15% B n/a C n/a D n/a E n/a F 31% G n/a |
acetic acid-(2-benzenesulfonyl-anilide)
2-aminophenyl phenyl sulfone
Conditions | Yield |
---|---|
With potassium hydroxide |
2-Nitrosophenyl-phenylsulfon
2-aminophenyl phenyl sulfone
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane |
2-aminophenyl phenyl sulfone
Conditions | Yield |
---|---|
With tin(ll) chloride |
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The IUPAC name of 2-(Phenylsulfonyl)aniline is 2-(benzenesulfonyl)aniline. With the CAS registry number 4273-98-7, it is also named as Benzenamine, 2-(phenylsulfonyl)-. The product's categories are Intermediates of Dyes and Pigments; Amines. It is off-white to beige powder which is stable under normal temperatures and pressures. Additionally, this chemical should be sealed in the container, stored in the well- ventilated and dry place and avoided direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.21; (6)ACD/BCF (pH 7.4): 21.21; (7)ACD/KOC (pH 5.5): 309.84; (8)ACD/KOC (pH 7.4): 309.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 63.89 cm3; (14)Molar Volume: 180 cm3; (15)Polarizability: 25.33×10-24 cm3; (16)Surface Tension: 52.6 dyne/cm; (17)Enthalpy of Vaporization: 69.66 kJ/mol; (18)Vapour Pressure: 6.3E-08 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 233.051049; (21)MonoIsotopic Mass: 233.051049; (22)Topological Polar Surface Area: 68.5; (23)Heavy Atom Count: 16; (24)Complexity: 314.
Preparation of 2-(Phenylsulfonyl)aniline: It can be obtained by (2-nitro-phenyl)-phenyl sulfone. This reaction needs reagents iron and aq.-ethanolic HCl.
Uses of 2-(Phenylsulfonyl)aniline: It is used as intermediate of dyes and pharmaceuticals, pesticides. It also can react with benzo[1,3,2]dithiazole 1,1,3,3-tetraoxide to get 2-phenylsulfonylbenzenediazonium o-benzenedisulfonimide. This reaction which is a kind of diazotization needs reagent isopentyl nitrite and solvent acetic acid at temperature of 0-5 °C. The yield is 92%.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccccc1N)c2ccccc2
2. InChI:InChI=1/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
3. InChIKey:JBCUKQQIWSWEOK-UHFFFAOYAD