2-Fluoro-5-methylsulphonylnitrobenzene supplier

Name
4-METHYLSULFONYL-2-NITROFLUOROBENZENE
EINECS
CAS No. 453-72-5
Article Data3
CAS DataBase
Density 1.488 g/cm³
Solubility
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
Appearance white to light yellow-green crystalline powder
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xi,Xn
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;
PSA 88.34000
LogP 2.74140

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

Product Name

4-METHYLSULFONYL-2-NITROFLUOROBENZENE

2-Fluoro-5-methylsulphonylnitrobenzene Specification

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