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| CAS No.: | 2976-30-9 |
|---|---|
| Name: | 1-(METHYLSULFONYL)-4-NITROBENZENE |
| Article Data: | 156 |
| Molecular Structure: | |
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|
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| Formula: | C7H7NO4S |
| Molecular Weight: | 201.203 |
| Synonyms: | Sulfone,methyl p-nitrophenyl (6CI,7CI,8CI);1-(Methylsulfonyl)-4-nitrobenzene;4-(Methylsulfonyl)nitrobenzene;4-Nitrophenyl methyl sulfone;Methyl4-nitrophenyl sulfone;Methyl p-nitrophenyl sulfone;NSC 87342;p-Nitrophenylmethyl sulfone; |
| Density: | 1.406 g/cm3 |
| Melting Point: | 136-138 °C |
| Boiling Point: | 402.2 °C at 760 mmHg |
| Flash Point: | 197.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| PSA: | 88.34000 |
| LogP: | 2.60230 |
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Specification
The Benzene,1-(methylsulfonyl)-4-nitro-, with the CAS registry number 2976-30-9, is also known as 4-(Methylsulfonyl)-1-nitrobenzene. This chemical's molecular formula is C7H7NO4S and molecular weight is 201.19978. Its IUPAC name is called 1-methylsulfonyl-4-nitrobenzene.
Physical properties of Benzene,1-(methylsulfonyl)-4-nitro-: (1)ACD/LogP: 0.34; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.559; (5)Molar Refractivity: 46.22 cm3; (6)Molar Volume: 143 cm3; (7)Surface Tension: 49.9 dyne/cm; (8)Density: 1.406 g/cm3; (9)Flash Point: 197.1 °C; (10)Enthalpy of Vaporization: 62.79 kJ/mol; (11)Boiling Point: 402.2 °C at 760 mmHg; (12)Vapour Pressure: 2.58E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-methylsulfanyl-4-nitro-benzene. This reaction will need reagent KMnO4, Rexyn 101 H ion exchange resin and solvent CH2Cl2. The reaction time is 6 hours. The yield is about 90%.
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Uses of Benzene,1-(methylsulfonyl)-4-nitro-: it can be used to produce 4-methanesulfonyl-aniline. This reaction will need reagent Raney nickel and ethanol with reaction pressure 2574.3 - 3677.5pa.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
(3)InChIKey: XONGBDXIFQIQBN-UHFFFAOYSA-N