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186315-85-5

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Basic Information
CAS No.: 186315-85-5
Name: 1,3-DIFLUORO-4-NITRO-2-(TRIMETHYLSILYL)BENZENE
Article Data: 3
Molecular Structure:
Molecular Structure of 186315-85-5 (1,3-DIFLUORO-4-NITRO-2-(TRIMETHYLSILYL)BENZENE)
Formula: C9H11F2NO2Si
Molecular Weight: 231.274
Synonyms: 1,3-Difluoro-4-nitro-2-(trimethylsilyl)benzene;
Density: 1.177 g/cm3
Boiling Point: 263.136 °C at 760 mmHg
Flash Point: 112.941 °C
Hazard Symbols: R36/38:Irritating to eyes and skin.;
Risk Codes: R36/38
PSA: 45.82000
LogP: 2.94140
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Specification

The Benzene,1,3-difluoro-4-nitro-2-(trimethylsilyl)-, with the CAS registry number 186315-85-5, is also known as 1,3-Difluoro-4-nitro-2-(trimethylsilyl)benzene. This chemical's molecular formula is C9H11F2NO2Si and molecular weight is 231.27. What's more, its systematic name is (2,6-difluoro-3-nitrophenyl)(trimethyl)silane.

Physical properties of Benzene,1,3-difluoro-4-nitro-2-(trimethylsilyl)- are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 744; (6)ACD/BCF (pH 7.4): 744; (7)ACD/KOC (pH 5.5): 3954; (8)ACD/KOC (pH 7.4): 3954; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 55.651 cm3; (15)Molar Volume: 196.421 cm3; (16)Polarizability: 22.062×10-24cm3; (17)Surface Tension: 28.947 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 112.941 °C; (20)Enthalpy of Vaporization: 48.074 kJ/mol; (21)Boiling Point: 263.136 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane and 2,4-difluoro-1-nitro-benzene at the temperature of -78°C. This reaction will need reagent NaHMDS and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 100%.

Benzene,1,3-difluoro-4-nitro-2-(trimethylsilyl)- can be prepared by chloro-trimethyl-silane and 2,4-difluoro-1-nitro-benzene at the temperature of -78°C

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(c(F)c1[Si](C)(C)C)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C9H11F2NO2Si/c1-15(2,3)9-6(10)4-5-7(8(9)11)12(13)14/h4-5H,1-3H3
3)Std. InChIKey: XMEDCOZETUWHIB-UHFFFAOYSA-N