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HomeProduct name list1,3,5-Tribromobenzene

1,3,5-Tribromobenzene

  • CAS NO.:626-39-1
  • Empirical Formula: C6H3Br3
  • Molecular Weight: 314.8
  • MDL number: MFCD00000080
  • EINECS: 210-947-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:57
1,3,5-Tribromobenzene Structural

What is 1,3,5-Tribromobenzene?

Chemical properties

Lump powder; Vapour pressure of 1,3,5-tribromobenzene between 295 and 389 K (solid) and 397 and 410 K (liquid). The enthalpies of sublimation and vaporisation were derived from the relationship between vapour pressure and temperature: ΔH°SUB(334.78 K) = 83.54 ± 2 kJ/mol and ΔH°vap(403.23 K) = 58.68 ± 1.5 kJ/mol.

The Uses of 1,3,5-Tribromobenzene

1,3,5-Tribromobenzene, is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.

The Uses of 1,3,5-Tribromobenzene

Intermediate in drug manufacturing; organic synthesis; internal standard in analysis of aqueous samples.

What are the applications of Application

1,3,5-Tribromobenzene is an internal standard during derivatization step in determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry

General Description

  • 1,3,5-Tribromobenzene(TBB) acts as internal standard during derivatization step in determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry.
  • TBB forms molecular complexes of 1:2 stoichiometry with [60]-and [70] fullerenes.
  • TBB reacts with perfluoroalkenylzinc reagent in the presence of Pd(Ph3)4 catalyst to yield a novel trifunctional monomer 1,3,5-tris(α, β, β-trifluorovinyl)benzene.

Environmental Fate

Photolytic. Peijnenburg et al. (1992) investigated the photodegradation of a variety of substituted aromatic halides using a Rayonet RPR-208 photoreactor equipped with 8 RUL 3,000- ? lamps (250–350 nm). The reaction of 1,3,5-tribromobenzene (initial concentration 10-5 M) was conducted in distilled water and maintained at 20 °C. Though no products were identified, the investigators reported photohydrolysis was the dominant transformation process. The measured pseudo-first-order reaction rate constant and corresponding half-life were 0.005/min and 140.5 min., respectively.
Chemical/Physical. 1,3,5-Tribromobenzene will not hydrolyze to any reasonable extent.

Purification Methods

Crystallise it from glacial acetic acid/water (4:1), then wash with chilled EtOH and dry in air. [Beilstein 5 H 213, 5 IV 685.]

Properties of 1,3,5-Tribromobenzene

Melting point: 117-121 °C (lit.)
Boiling point: 271 °C (lit.)
Density  2.3515 (estimate)
refractive index  1.6340 (estimate)
Flash point: 271°C
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Soluble in benzene, chloroform, and ether (Weast, 1986)
form  Powder
color  Almost white to orange-brown
Water Solubility  Soluble in hot ethanol and acetic acid. Insoluble in water.
BRN  1858917
CAS DataBase Reference 626-39-1(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1,3,5-tribromo-(626-39-1)
EPA Substance Registry System 1,3,5-Tribromobenzene (626-39-1)

Safety information for 1,3,5-Tribromobenzene

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 1,3,5-Tribromobenzene

InChIKey YWDUZLFWHVQCHY-UHFFFAOYSA-N

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