2,4,6-Trifluorobenzaldehyde
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2,4,6-Trifluorobenzaldehyde
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CAS No:
58551-83-0
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Formula:
C7H3F3O
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Chemical Name:
2,4,6-Trifluorobenzaldehyde
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Synonyms:
2,4,6-TRIFLUOROBENZALDEHYDE;2,4,6-Trilfuorobenzaldehyde;2,4,6-Trifluorobenzaldehyde 98%;2,4,6-Trifluorobenzaldehyde98%;2,4,6-Trifluorobenzaldehyde,97%;2,4,6-Trifluorobenzaldehyde AldrichCPR
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CAS No:
Characteristics
17.1
1.7
White to slightly grey Powder
1.4±0.1 g/cm3
60 °C
165℃
46.6±17.4 °C
1.492
Refrigerator (+4°C)
Safety Information
NONH for all modes of transport
36/37/38-22
26-36-37/39
Xi,Xn
Irritant
P305 + P351 + P338
H315-H319
|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 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4,6-Trifluorobenzaldehyde Use and Manufacturing
2000ml four mouth -bottle into tetrahydrofuran 500g, 1, 3, 5-trifluorobenzene 132g, cooled to -60 ° C, in -60 ~ -90°C, , dropwise ; 2. 5N 500ml Butyl lithium, drop about I.5h , add heat insulation 2h, system drops add 80g N, N-dimethylformamide and 100 g of a tetrahydrofuran solution , control temperature below -60 degrees°C, Then add heat insulation 3h, and heating insulation, heating up to -30 degrees°C, and set aside. another 3000ml four mouth bottle into 650g water , 226g30percent hydrochloric acid, 190g sodium chloride, stirring, then add dropwise at 20 ° C above-mentioned -temperature reaction solution adding completed, insulation 0 5h, layered, Water layer with 200g methyl tert butyl ether extraction Combined organic layer, steaming solvent 2, 4, 6- Trifluorobenzaldenyde 145 g, GC: 97percent, yield 90percent.(3)To the reaction solution was added dropwise 225 g of dimethylformamide, Control temperature does not exceed -75 , The reaction was incubated for 1h after the addition was completed.(4)To the reaction solution, 200 g of glacial acetic acid, 1000 mL of water and 2000 mL of 15percent diluted hydrochloric acid, Control temperature does not exceed 0 , Adjust pH to 1 ~ 1.2, Stir 15min after the addition was completed crude product.(5)Static stratification, The crude product was left to stratify, After the aqueous layer was extracted with 2000mL of n-hexane, The combined organic layers were washed with 2000 mL of saturated sodium chloride solution until neutral, After drying, concentration and cooling, The target product 2, 4, 6-trifluorobenzaldehyde, Yield 88percent.0.15 g (1.05 mmol) of 5-aminomethyl-2-chloropyridine and 0.20 g (1.26 mmol)
Computed Properties
Molecular Weight:160.09
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:160.01359920
Monoisotopic Mass:160.01359920
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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