1-Bromo-2-chloro-3-nitrobenzene
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1-Bromo-2-chloro-3-nitrobenzene
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CAS No:
3970-37-4
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Formula:
C6H3BrClNO2
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Chemical Name:
1-Bromo-2-chloro-3-nitrobenzene
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Synonyms:
Benzene,1-bromo-2-chloro-3-nitro-;1-Bromo-2-chloro-3-nitrobenzene
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1-Bromo-2-chloro-3-nitrobenzene Use and Manufacturing
To a solution of 2-chloro-3-nitro-benzoic acid (15.0 g, 74.4 mmol) in carbon tetrachloride (350 ML) was added mercury (II) oxide (24.2 g, 112 mmol) at room temperature. The mixture was heated to reflux and irradiated with light. Bromine (5.75 mL, 112 mmol) was added dropwise into the mixture in 0.5 hour. The reaction was kept at refluxing temperature for 4 hours. After cooling, the reaction mixture was quenched with 100 mL of aqueous sodium bicarbonate and stirred for 0. 5 hours. After removal of the solid by filtration, the filtrate was washed with saturated sodium bicarbonate and water. Concentration gave 16.65 g of the title compound in 95percent YIELD. 1H NMR (400 MHZ, CDC13) : 8 7.86 (dd, 1H), 7.73 (dd, 1H), 7.30 (t, 1H).A. Preparation of 1-Bromo-2-chloro-3-nitro-benzene (1); 24.2 g (0.111 mol) Hg(II)O was added to a suspension of 15.0 g (0.0744 mol) 2-chloro-3-nitro-benzoic acid in 350 mL CClTo a stirred solution of 2-chloro-3-nitrobenzoic acid (15g, 74.4 mmol) in 350 mL of CCIA mixture of 2-bromo-6-nitroaniline (16.0 g, 74.10 mmol), tert-butyl nitrite (11.40 g 111.15mmol) and CuCl1-Bromo-2-chloro-3-nitrobenzene A mixture of 2-bromo-6-nitroaniline (3.0 g, 13.84 mmol), tert-butyl nitrite (2.85 g 27.68 mmol) and CuClTo an ice-cold solution of 3 (3.46 g, 20 mmol) in 30 mL 48percent HBr was dropwise added NaNO
Computed Properties
Molecular Weight:236.45
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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