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2-Fluoro-5-methylsulphonylnitrobenzene

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Name

2-Fluoro-5-methylsulphonylnitrobenzene

EINECS N/A
CAS No. 453-72-5 Density 1.488 g/cm3
PSA 88.34000 LogP 2.74140
Solubility N/A Melting Point 152-158 °C
Formula C7H6FNO4S Boiling Point 396.3 °C at 760 mmHg
Molecular Weight 219.193 Flash Point 193.5 °C
Transport Information N/A Appearance white to light yellow-green crystalline powder
Safety 37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 453-72-5 (4-METHYLSULFONYL-2-NITROFLUOROBENZENE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Sulfone,4-fluoro-3-nitrophenyl methyl (6CI,8CI);1-Fluoro-2-nitro-4-methylsulfonylbenzene;1-Fluoro-4-methylsulfonyl-2-nitrobenzene;2-Fluoro-5-methylsulfonyl-1-nitrobenzene;4-Fluoro-3-nitrophenyl methylsulfone;NSC 226257;

Article Data 3

2-Fluoro-5-methylsulphonylnitrobenzene Specification

This chemical is called Benzene, 1-fluoro-4-(methylsulfonyl)-2-nitro-, and its systematic name is 1-fluoro-4-(methylsulfonyl)-2-nitrobenzene. With the molecular formula of C7H6FNO4S, its molecular weight is 219.19. The CAS registry number of this chemical is 453-72-5. Additionally, it's white to light yellow-green crystalline powder.

Other characteristics of the Benzene, 1-fluoro-4-(methylsulfonyl)-2-nitro- can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 88.34 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 46.34 cm3; (9)Molar Volume: 147.2 cm3; (10)Polarizability: 18.37×10-24cm3; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.488 g/cm3; (13)Flash Point: 193.5 °C; (14)Enthalpy of Vaporization: 62.14 kJ/mol; (15)Boiling Point: 396.3 °C at 760 mmHg; (16)Vapour Pressure: 3.93E-06 mmHg at 25°C.

Uses of this chemical: The N-benzyl-2-(2-furan-2-yl-5-methanesulfonyl-benzoimidazol-1-yl)-acetamide could be obtained by the reactant of Benzene, 1-fluoro-4-(methylsulfonyl)-2-nitro-. The yield is 45 %.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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=[N+]([O-])c1cc(ccc1F)S(=O)(=O)C
2.InChI: InChI=1/C7H6FNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
3.InChIKey: OUSNDSFSTBZESM-UHFFFAOYAL

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