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Name |
Benzene,5-bromo-1-fluoro-2-methoxy-3-nitro- |
EINECS | 620-767-0 |
CAS No. | 74266-66-3 | Density | 1.716 g/cm3 |
PSA | 55.05000 | LogP | 3.02820 |
Solubility | N/A | Melting Point |
58-60 °C(lit.) |
Formula | C7H5BrFNO3 | Boiling Point | 309.1 °C at 760 mmHg |
Molecular Weight | 250.024 | Flash Point | 140.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Fluoro-4-bromo-6-nitroanisole;4-Bromo-2-fluoro-6-nitroanisole;5-Bromo-1-fluoro-2-methoxy-3-nitrobenzene;4-Bromo-2-fluoro-6-nitrophenyl methyl ether; |
Article Data | 1 |
The Benzene,5-bromo-1-fluoro-2-methoxy-3-nitro-, with the CAS registry number 74266-66-3, is also known as 2-Fluoro-4-bromo-6-nitroanisole. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C7H5BrFNO3 and formula weight is 250.02. What's more, its systematic name is 4-bromo-2-fluoro-6-nitrophenyl methyl ether.
Physical properties of Benzene,5-bromo-1-fluoro-2-methoxy-3-nitro- are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.46; (4)ACD/BCF (pH 5.5): 43.41; (5)ACD/BCF (pH 7.4): 43.41; (6)ACD/KOC (pH 5.5): 517.35; (7)ACD/KOC (pH 7.4): 517.35; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.05 Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 47.16 cm3; (14)Molar Volume: 145.6 cm3; (15)Surface Tension: 44.8 dyne/cm; (16)Density: 1.716 g/cm3; (17)Flash Point: 140.7 °C; (18)Enthalpy of Vaporization: 52.79 kJ/mol; (19)Boiling Point: 309.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00119 mmHg at 25°C.
Uses of Benzene,5-bromo-1-fluoro-2-methoxy-3-nitro-: it can be used to produce 3-fluoro-2-methoxy-aniline with the catalyst 5% Pd/C at the temperature of 80 - 85°C. It will need reagent hydrogen, KOH and solvent methanol with the reaction time of 1 hour. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(OC)c(cc(Br)c1)[N+]([O-])=O
(2)InChI: InChI=1S/C7H5BrFNO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3
(3)InChIKey: CVCAYLYLJKBSNV-UHFFFAOYSA-N