4-Bromo-5-fluoro-2-nitrotoluene
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4-Bromo-5-fluoro-2-nitrotoluene
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CAS No:
224185-19-7
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Formula:
C7H5BrFNO2
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Chemical Name:
4-Bromo-5-fluoro-2-nitrotoluene
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Synonyms:
4-BROMO-3-FLUORO-6-NITROTOLUENE;4-BROMO-5-FLUORO-2-NITROTOLUENE;4-Bromo-5-fluoro-2-nitortoluene;2-Nitro-4-Bromo-5-Fluorotoluene;1-Bromo-2-fluoro-4-methyl-5-nitro-benzene;Benzene,1-broMo-2-fluoro-4-Methyl-5-nitro-
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CAS No:
4-Bromo-5-fluoro-2-nitrotoluene Basic Attributes
234.02
232.948761
1533716-785-6
DTXSID70381414
2904909090
Characteristics
45.8
2.9
1.7±0.1 g/cm3
59-63°C
337.5°C at 760 mmHg
115.1±25.9 °C
1.571
0.0141mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22-36-36/37/38
26-36/37-36
Xn,Xi
Irritant
P305 + P351 + P338
H302-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-5-fluoro-2-nitrotoluene Use and Manufacturing
To a stirred solution of 4-bromo-3-fluorotoluene (10 g, 52.9 mmol) in H2SO4 (100 mL) was added [KN03] (5.34 g, 52.9 mmol) at [0°C.] After stirring overnight at room temperature, the reaction mixture was poured into ice (200 g) and extracted with EtOAc (3 x 300 mL). The organic solution was washed with brine (200 mL), dried (Na2SO4), and concentrated to give 12.35 g (100percent) of title compound as a pale yellow [OIL.APOS;H NMR (CDCIS)] : [300 MHZ No. 8. ]29 (d, [J= 6.] 30 Hz, 1H), 7.12 (d, J= 8.61 Hz, 1H), 2.60 (s, 3H).1-Bromo-2-fluoro-4-methyl-5-nitrobenzene HNOTo a solution of 1-Bromo-2-fluoro-4-methyl-benzene (5.35 g, 28.30 mmol) in concentrated sulfuric acid (25 ml) was added concentrated nitric acid(9 ml) dropwise while maintaining an internal reaction temperature below 20° C. 2-Fluoro-4-methyl-5-nitro-aniline (1.85 g, 10.90 mmol) was suspended in concentrated hydrobromic acid (22 ml_) and cooled to 0 Example 7a 3-Bromo-4-fluoro-6-methylnitrobenzene
Computed Properties
Molecular Weight:234.02
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Exact Mass:232.94877
Monoisotopic Mass:232.94877
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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