4,5-DICHLORO-2-NITROPHENOL
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4,5-DICHLORO-2-NITROPHENOL
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CAS No:
39224-65-2
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Formula:
C6H3Cl2NO3
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Chemical Name:
4,5-DICHLORO-2-NITROPHENOL
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Synonyms:
4,5-DICHLORO-2-NITROPHENOL;Phenol, 4,5-dichloro-2-nitro-;5-Dichloro-2-nitrophenol;3,4-dichloro-6-nitrophenol;SCHEMBL305109;4,5-dichloro-2-nitro-phenol;Phenol,4,5-dichloro-2-nitro-;CTK4I1139;KS-00000PWF;DTXSID10192485
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CAS No:
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.
4,5-DICHLORO-2-NITROPHENOL Use and Manufacturing
4, 5-Dichloro-2-nitrophenol To a solution of 3, 4-dichiorophenol (3g, 18.4lmmol) and concentrated H2S04 (1.56 mL, 27.6mmol) in DCM (50 mL) at 0 00 was added fuming HNO3 (1.2mL, 18.4lmmol) dropwise. The reaction mixture was stirred at 0 00 for 30 minutes. The TLC showed reaction to be complete. Reaction was cooled to room temperature, quenched with ice-cold water (25mL) and extracted with DCM (3x25mL). The organics were dried (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography using silica gel (100-200 mesh), eluting with 2percent EtOAc in hexane to afford 4, 5-dichloro-2-nitrophenol as yellow solid. Yield: 1.5g (39percent); (MS (ESI-) for CHNOS m/z 205.9 [M-H].1H NMR (400 MHz, CDCI3): 10.46 (bs, 1H), 8.23 (5, 1H), 7.33 (5, 1H).General procedure: An appropriate phenol (3) (150 mmol) was dissolved in glacial acetic acid (50 mL), and the solution was stirred and maintained at 40 °C. Then, a solution containing 11 mL of 65percent HNO
Computed Properties
Molecular Weight:208.00
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:206.9489983
Monoisotopic Mass:206.9489983
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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