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Safety Information

250988

Sigma-Aldrich

2,5-Dibromotoluene

98%

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Linear Formula:
CH3C6H3Br2
CAS Number:
Molecular Weight:
249.93
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.602 (lit.)

bp

135-136 °C/35 mmHg (lit.)

mp

5-6 °C (lit.)

density

1.815 g/mL at 25 °C (lit.)

SMILES string

Cc1cc(Br)ccc1Br

InChI

1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChI key

QKEZTJYRBHOKHH-UHFFFAOYSA-N

Application

2,5-Dibromotoluene has been used:
  • as internal standard for quantification of cyanide and thiocyanate in human saliva by GC-MS
  • in the preparation of 2,5-bis(4′-alkoxycarbonylphenyl)styrenes, monomers required for the synthesis of mesogen-jacketed liquid-crystal polymers

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Buddha D Paul et al.
Journal of analytical toxicology, 30(8), 511-515 (2006-11-30)
A method is described for simultaneous determination of cyanide (CN) and thiocyanate (SCN) in human saliva, or oral fluid. SCN concentrations in body fluids appeared to be important in classifying patients as smokers or nonsmokers, in determining some clinical conditions
Synthesis and characterization of mesogen-jacketed liquid-crystal polymers based on 2, 5-bis (4'-alkoxyphenyl) styrene.
Yu Z, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 41(10), 1454-1464 (2003)
Ekaterina A Dolgopolova et al.
Journal of the American Chemical Society, 141(13), 5350-5358 (2019-03-07)
Electronic structure modulation of metal-organic frameworks (MOFs) through the connection of linker "wires" as a function of an external stimulus is reported for the first time. The established correlation between MOF electronic properties and photoisomerization kinetics as well as changes

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