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ChemicalBook--->CAS DataBase List--->626-39-1

626-39-1

626-39-1 Structure

626-39-1 Structure
IdentificationMore
[Name]

Tribromobenzene
[CAS]

626-39-1
[Synonyms]

1,3,5-TRIBROMOBENZENE
Tribromobenzene
1,3,5-tribromo-benzen
Benzene,1,3,5-tribromo-
I,3,5-TribrombenzolC&W%16
Tribromobenzene,98%
1,3,5-TRIBROMOBENZENE OEKANAL, 250 MG
1,3,5-Tribromobenzene,98+%
1,3,5-TRIBROMOBENZENE TECHNICAL
1,3,5-TRIBROMOBENZENE pure
[EINECS(EC#)]

210-947-3
[Molecular Formula]

C6H3Br3
[MDL Number]

MFCD00000080
[Molecular Weight]

314.8
[MOL File]

626-39-1.mol
Chemical PropertiesBack Directory
[Appearance]

Lump powder
[Melting point ]

117-121 °C (lit.)
[Boiling point ]

271 °C (lit.)
[density ]

2.3515 (estimate)
[refractive index ]

1.6340 (estimate)
[Fp ]

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
[InChIKey]

YWDUZLFWHVQCHY-UHFFFAOYSA-N
[CAS DataBase Reference]

626-39-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,3,5-tribromo-(626-39-1)
[EPA Substance Registry System]

626-39-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DC1957200
[TSCA ]

Yes
[HS Code ]

29036990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,2,3,5-tetrabromobenzene-->PBB-NO. 38
[Preparation Products]

3,5-Dibromobenzaldehyde-->1,3,5-Tris(p-formylphenyl)benzene-->2,4,6-TRIBROMOBIPHENYL-->3,5-Dibromoaniline-->1-Bromo-3,5-dimethoxybenzene-->Bromobenzene-->1,3,5-Trimethoxybenzene-->1,3,5-tri(thiophen-2-yl)benzene-->1,2,3,4,5,6-Benzenehexamine-3HCl-->2,4,6-TRIBROMOBENZOIC ACID-->3,3'-(5-bromo-1,3-phenylene)dipyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Tribromobenzene(626-39-1).msds
Hazard InformationBack Directory
[Chemical Properties]

Lump powder
[Uses]

Intermediate in drug manufacturing; organic synthesis; internal standard in analysis of aqueous samples.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Tribromobenzene(626-39-1)MS
Tribromobenzene(626-39-1)1HNMR
Tribromobenzene(626-39-1)13CNMR
Tribromobenzene(626-39-1)IR1
Tribromobenzene(626-39-1)IR2
Tribromobenzene(626-39-1)IR3
Tribromobenzene(626-39-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3,5-Tribromobenzene, 98%(626-39-1)
[Alfa Aesar]

1,3,5-Tribromobenzene, 98%(626-39-1)
[Sigma Aldrich]

626-39-1(sigmaaldrich)
[TCI AMERICA]

1,3,5-Tribromobenzene,>98.0%(GC)(626-39-1)
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