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Home > Encyclopedia > 5-Bromo-1,2,3-trifluorobenzene

5-Bromo-1,2,3-trifluorobenzene

5-Bromo-1,2,3-trifluorobenzene structure

5-Bromo-1,2,3-trifluorobenzene 

structure
  • CAS No:

    138526-69-9

  • Formula:

    C6H2BrF3

  • Chemical Name:

    5-Bromo-1,2,3-trifluorobenzene

  • 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:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

Clear slightly yellow liquid

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

Methods of 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.

Uses

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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