5-Bromo-1,2,3-trifluorobenzene
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5-Bromo-1,2,3-trifluorobenzene
structure -
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CAS No:
138526-69-9
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Formula:
C6H2BrF3
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Chemical Name:
5-Bromo-1,2,3-trifluorobenzene
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Synonyms:
Benzene,5-bromo-1,2,3-trifluoro-;5-Bromo-1,2,3-trifluorobenzene;3,4,5-Trifluoro-1-bromobenzene;1-Bromo-3,4,5-trifluorobenzene;3,4,5-Trifluorobromobenzene;1,2,3-Trifluoro-5-bromobenzene;3,4,5-Trifluorophenyl bromide;4-Bromo-1,2,6-trifluorobenzene
- Categories:
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CAS No:
5-Bromo-1,2,3-trifluorobenzene Basic Attributes
210.98
210.98
7249191
418-480-9
DTXSID70346346
29036990
Characteristics
0
3
Colorless to yellowish liquid.
1.767 g/mL at 25 °C(lit.)
1
47-49 °C60 mm Hg(lit.)
113 °F
n 20/D 1.482(lit.)
H2O: insoluble
Flammables area
1.6mmHg at 25°C
Safety Information
III
3
UN 1993 3/PG 3
2
10-38-40-41-51/53-36/37/38
23-26-36/37/39-61-36-16
Xn,N,Xi,F
Irritant
P273-P280-P305 + P351 + P338
H226-H315-H318-H351-H411
|Danger|H226: Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P264, P273, P280, P281, P302+P352, P303+P361+P353, P305+P351+P338, P308+P313, P310, P321, P332+P313, P362, P370+P378, P391, P403+P235, P405, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P281, P302+P352, P303+P361+P353, P305+P351+P338, P308+P313, P310, P321, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 95 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
5-Bromo-1,2,3-trifluorobenzene Use and Manufacturing
The preparation method of 3, 4, 5-trifluorobromobenzene is as follows:(1) Add 1 mol of 1, 2, 3-trifluorobenzene and 3 mol of dichloromethane to a 2 L reaction flask.Stir the solution into a solution and cool to 8-12 ° C;(2) dissolving 1.0 mol of sodium bromide and 120 g of sodium dihydrogen phosphate in water, Formulated into an aqueous solution, cooled to 12 ° C and added to the reaction bottle of step (1);(3) 10percent sodium hypochlorite solution (1.2 mol sodium hypochlorite content) was added dropwise to the reaction flask at 15 ° C, the dropping process was carried out for 100 min, and the temperature reaction was maintained for 60 min;(4) After standing and phase separation, the organic phase is washed to neutral, Calcium chloride is dried and the organic phase is desolvated to obtain crude 3, 4, 5-trifluorobromobenzene;(5) melt recrystallization of crude 3, 4, 5-trifluorobromobenzene at -25 ° C, 200 g of the product 3, 4, 5-trifluorobromobenzene were obtained in a yield of 94.6percent and a content of 99.5percent.
Used as pharmaceutical intermediate
Computed Properties
Molecular Weight:210.98
XLogP3:3
Hydrogen Bond Acceptor Count:3
Exact Mass:209.92920
Monoisotopic Mass:209.92920
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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