2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
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2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
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CAS No:
106809-14-7
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Formula:
C7H2Cl2FNO4
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Chemical Name:
2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
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Synonyms:
TIMTEC-BB SBB003130;2,4-DICHLORO-3-NITRO-5-FLUORO BENZOIC ACID;2,4-DICHLORO-5-FLUORO-3-NITROBENZOIC ACID;2,4-difluoro-5-fluoro-3-nitro benzoic acid;2,4-Dichloro-3-nitro-5-fluorob;2,4-Dichloro-3-hitro-5-fluorobenzoicacid;2,4-Dichloro-5-fluoro-3-nitrobenzoic acid,99%;2,4-dichloro-5-fluoro-3-cyanobenzoic acid
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CAS No:
Characteristics
83.1
2.6
white to light yellow crystal powder
1.7139 (estimate)
193-197 °C(lit.)
390.4±42.0 °C(Predicted)
189.9±27.9 °C
1.615
8.54E-07mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
Irritant
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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Dichloro-5-fluoro-3-nitrobenzoic acid Use and Manufacturing
55 g (0.55 mol 1) of concentrated sulfuric acid was added to a 250 ml three-necked flask equipped with a stirrer and a reflux tube, The use of cold and concentrated sulfuric acid, And 19.29 g (0.3 mol) of fuming nitric acid was added to the three-necked flask under stirring (stirring speed of 400 r / min)After the addition, the temperature of the mixture in the three-necked flask was raised to 103 ° C, Dropwise pre-melted2, 4-dichloro-5-fluoroacetophenone 10.46 g (0.05 mol)Dropping temperature control in the 103 ~ 110 ° C, after the drop at 106 ° C insulation for 3 hours, Cooling to l0 ° C filter, the filtrate recovery standby, filter cake washed with water and then toluene to 2, 4, 4-dichloro-5-fluoro-3-nitrobenzoic acid 11.67 grams, 99percent purity, yield 2, 4-dichloro-5-fluoroacetophenone, 91percent
Computed Properties
Molecular Weight:254.00
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:252.9344911
Monoisotopic Mass:252.9344911
Topological Polar Surface Area:83.1
Heavy Atom Count:15
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
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