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Alpha,Alpha,Alpha',Alpha'-Tetrabromo-o-xylene (13209-15-9)

Identification
Name:Alpha,Alpha,Alpha',Alpha'-Tetrabromo-o-xylene
Synonyms:1,2-Bis(dibromomethyl)benzene; alpha,alpha,alpha,alpha-Tetrabromo-o-xylene; Tetrabromooxylene; 5-Methyl Salicyamide; 2,6-diisopropylphenol; 2-(m-Aminobenzenesulfamido)-6,8-Disulfonic Acid
CAS:13209-15-9
EINECS: 236-176-2
Molecular Formula: C8H6Br4
Molecular Weight: 421.75
InChI: InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
Molecular Structure: (C8H6Br4) 1,2-Bis(dibromomethyl)benzene; alpha,alpha,alpha,alpha-Tetrabromo-o-xylene; Tetrabromooxylene; 5-Met...
Properties
Transport:UN 3261
Density:2.392 g/cm3
Refractive index:1.685
Water Solubility:insoluble
Solubility:insoluble
Appearance:beige to gray Crystalline powder
Specification:

The IUPAC name of this product is 1,2-bis(dibromomethyl)benzene . With the CAS registry number 13209-15-9, it is also named as  NSC 38607 ; alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene ; o-Xylene, alpha,alpha,alpha',alpha'-tetrabromo- ; Benzene, 1,2-bis(dibromomethyl)- ; alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene .

The 1,2-Bis(dibromomethyl)benzene is off-white to grey crystalline powder. It is insoluble in water. It can cause burns. And it is irritating to eyes and respiratory system. Harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

The 1,2-Bis(dibromomethyl)benzene can be obtained by 1-dibromomethyl-2-tribromomethyl-benzene with Pd(OAc)2 , PPhand Et3N in the solvent dimethylformamide . The recation temperature is 100 °C and the yield is 40%.

The 1,2-Bis(dibromomethyl)benzene is used in the preparation of other chemicals. For example: 1. It can reacts with 5endo,6endo-Bis-chlormethyl-norborn-2-en to get trans/cis-2,3-bis(chloromethyl)-1,4-methano-1,2,3,4-tetrahydroanthracene ; 2. It also can reacts with allylmagnesium bromide to obtain 1-(3-butenyl)-2-(deuteriomethyl)benzene ; 3. It reacts with exo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene to obtain exo-benzocyclobuteno-1,2,3,4-tetrahydro-1,4-methanoanthracene .

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 4628.7 ; (2)ACD/BCF (pH 7.4): 4628.7 ; (3)ACD/KOC (pH 5.5): 14632.84 ; (4)ACD/KOC (pH 7.4): 14632.84 ; (5)#Freely Rotating Bonds: 2 ; (6)Index of Refraction: 1.685 ; (7)Molar Refractivity: 67.01 cm3 ; (8)Molar Volume: 176.2 cm3 ; (9)Polarizability: 26.56×10-24 cm3 ; (10)Surface Tension: 58.1 dyne/cm ; (11)Enthalpy of Vaporization: 56.45 kJ/mol ; (12)Vapour Pressure: 0.000136 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: BrC(Br)c1ccccc1C(Br)Br; InChI: InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H.

Packinggroup: II
Safety Data
Hazard Symbols C:Corrosive