2-CHLORO-4,6-DIFLUOROANILINE
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2-CHLORO-4,6-DIFLUOROANILINE
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CAS No:
36556-56-6
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Formula:
C6H4ClF2N
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Chemical Name:
2-CHLORO-4,6-DIFLUOROANILINE
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Synonyms:
TIMTEC-BB SBB003922;2-CHLORO-4,6-DIFLUOROANILINE;4,6-DIFLUORO-2-CHLOROANILINE;6-CHLORO-2,4-DIFLUOROANILINE;6-CHLORO-2,4-DIFLUOROANILINE 97%;6-FLUORO-2,4-DIFLUOROANILINE;2-Chloro-4,6-difluoro-phenylamine;6-Chloro-2,4-difluoroaniline,97%
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CAS No:
Characteristics
26
2.6
Off-white to greenish-gray Low Melting Solid
1.5±0.1 g/cm3
28-32 °C(lit.)
178.6°C at 760 mmHg
180 °F
1.544
Safety Information
III
6.1
UN 2811 6.1/PG 3
3
25-38-41
26-36/37/39-45
T,Xi
Harmful/Irritant
P280-P301 + P310-P305 + P351 + P338
H301-H315-H318
|Danger|H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-CHLORO-4,6-DIFLUOROANILINE Use and Manufacturing
0.5 mol (1.0 eq) of 2, 4-difluoroaniline and 200 ml of dichloromethane were charged into a reaction flask, Stir to dissolve all, Control the internal temperature of 10 ~ 15 in 5 batches into 0.55mol (1.1eq) NCS, Feeding finished, Heated to reflux 2h, In the control, Raw material reaction is complete, Add 10percent dilute hydrochloric acid to the bottle to adjust the pH to 6-7, The organic phase is separated, Washed, Rotate to dryness to give 0.44 mol (0.88 eq) of 2, 4-difluoro-5-chloroaniline.0.44 mol of 2, 4-difluoro-5-chloroaniline was charged into 1.5 mol (3 eq) of 25percent dilute sulfuric acid, Stirring 0.5h, And then into which 0.75mol (1.5eq) times of sodium phosphite, Control the internal temperature of 30 ~ 35 drop 0.5mol (1eq) sodium nitrite aqueous solution, Dripping finished control kettle temperature rise per hour 4 ~ 5 , The program temperature, Kettle temperature rose to 60 , Insulation stirring 2h, Static stratification, The organic phase is washed with water again, For steam distillation, The distilled product was separated from the distillation column by distillation of 3, 5-difluorochlorobenzene 0.41 mol (0.82 eq)Purity 99.8percent.
Computed Properties
Molecular Weight:163.55
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:163.0000331
Monoisotopic Mass:163.0000331
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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