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Home > Encyclopedia > 2-Bromo-5-(trifluoromethyl)benzaldehyde

2-Bromo-5-(trifluoromethyl)benzaldehyde

2-Bromo-5-(trifluoromethyl)benzaldehyde structure

2-Bromo-5-(trifluoromethyl)benzaldehyde 

structure
  • CAS No:

    102684-91-3

  • Formula:

    C8H4BrF3O

  • Chemical Name:

    2-Bromo-5-(trifluoromethyl)benzaldehyde

  • Synonyms:

    2-Bromo-5-(trifluoromethyl)benzaldehyde;4-Bromo-3-formylbenzotrifluoride;4-Bromo-3-formylbenzotrifluoride, 6-Bromo-alpha,alpha,alpha-trifluoro-m-tolualdehyde;2-BroMo-5-(trifluoroMethyl)benzaldehyde, 95+%

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

Pale yellow liquid

2-Bromo-5-(trifluoromethyl)benzaldehyde Basic Attributes

253.02

251.939758

2913000090

Characteristics

17.1

3

1.677±0.06 g/cm3(Predicted)

239.1±35.0 °C(Predicted)

98.4±25.9 °C

1.511

Safety Information

Xi

Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-5-(trifluoromethyl)benzaldehyde Use and Manufacturing

Preparation of 2-methyl-5-phenyl-8-(trifluoromethyl)-2, 3, 4, 5-tetrahydro-1H-benzo[c]azepine, L-tartrate salt Step A: To a solution of the 2-bromo-5-trifluoromethyl-benzonitrile (2.6 g, 10.4 mmol) in toluene (20 mL) at -78° C. was added diisobutylaluminium hydride (21 mL, 21 mmol, 1.0 M in toluene) cooled to -78° C. by cannula. The solution was stirred at -78 to -50° C. for 2 hours. Water (5 mL) was added slowly to the reaction and the reaction was allowed to warm up to room temperature. The mixture was adjusted to pH 10 with NaOH. The product was extracted with dichloromethane, washed with saturated sodium bicarbonate and brine, dried over sodium sulfate and concentrated. The residue was purified by flash chromatography (hexanes/ether 90:10) to give the desired aldehyde (2.0 g, 76percent) as a dark solid:

Computed Properties

Molecular Weight:253.02
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:251.93976
Monoisotopic Mass:251.93976
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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