1,2-Difluoro-3-(trifluoromethyl)benzene
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1,2-Difluoro-3-(trifluoromethyl)benzene
structure -
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CAS No:
64248-59-5
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Formula:
C7H3F5
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Chemical Name:
1,2-Difluoro-3-(trifluoromethyl)benzene
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Synonyms:
Benzene,1,2-difluoro-3-(trifluoromethyl)-;1,2-Difluoro-3-(trifluoromethyl)benzene;2,3-Difluorobenzotrifluoride
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CAS No:
Characteristics
0
3
1.4±0.1 g/cm3
102-105 °C
115.9ºC at 760 mmHg
30.3±12.8 °C
1.391
Room temperature.
Safety Information
Ⅲ
3
1993
10-36/37/38
26-36
F
Flammable
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,2-Difluoro-3-(trifluoromethyl)benzene Use and Manufacturing
DMI11490g solvent into the reaction kettle 20L fluoroalkyl, 1125 g high purity water after addition to spray dried KF, 35g18- crown ether -6, 805g toluene, the toluene was collected by distillation under reduced pressure to azeotrope with water, dried using the clear fraction Nitrogen was returned to normal pressure, and 93.1percent of 3-fluoro-2-chlorobenzotrifluoride toluene (134percent) was heated to 230°C and reacted for 8 hours. The rectification was performed under reduced pressure (0.01 to 0.02 MPa) to collect 44 to 46°C of distillate 1184.8. g, 2, 3-difluoro-benzotrifluoride, with a purity of 98.9percent and a yield of 95.9percent.DMI13785g solvent into the reaction kettle 20L fluoroalkyl, 1017 g of water in addition to the spray dried KF, 65g18- crown ether -6, 840g toluene, the toluene was collected by distillation under reduced pressure to azeotrope with water, the clear high-purity fraction was dried Nitrogen was returned to normal pressure, and 667 g (4.2 mol) of 3-fluoro-4-chlorobenzonitrile (98percent) and 560 (2.8 mol) g of 3-fluoro-2-chlorobenzotrifluoride were added. The reaction was heated to 230°C for 6 hours. Then, the temperature was raised to 250°C at 10°C/h for 1 hour, the temperature was lowered, and the filtrate was collected by filtration. The distillation was carried out under reduced pressure (0.01 to 0.02 MPa) to collect 510.9 g of distillate at 44 to 46°C, namely 2, 3-difluorobenzotrifluoride, The purity was 98.6percent, and the yield was 98.8percent. The 100-105 °C fraction 500.6g, ie, 3, 4-difluoro-benzonitrile, was collected. The purity was 99.2percent, and the yield was about 85percent.The bottom of the kettle was again spray-dried with potassium fluoride, 3-fluoro-4-chloro-benzonitrile, and 2-chloro-3-fluoro-benzotrifluoride. The total yield of the fluorinated production process was 94percent.
Computed Properties
Molecular Weight:182.09
XLogP3:3
Hydrogen Bond Acceptor Count:5
Exact Mass:182.01549091
Monoisotopic Mass:182.01549091
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2-Difluoro-3-(trifluoromethyl)benzene
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