Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3,5-Dibromotoluene

Related Products

Hot Products

Name

3,5-Dibromotoluene

EINECS 605-248-9
CAS No. 1611-92-3 Density 1.81 g/cm3
PSA 0.00000 LogP 3.52000
Solubility N/A Melting Point 37-41 ºC
Formula C7H6Br2 Boiling Point 246 °C at 760 mmHg
Molecular Weight 249.933 Flash Point 108.7 °C
Transport Information N/A Appearance slightly yellow crystalline solid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1611-92-3 (3,5-Dibromotoluene) Hazard Symbols IrritantXi
Synonyms

Toluene,3,5-dibromo- (6CI,7CI,8CI);1,3-Dibromo-5-methylbenzene;3,5-Dibromotoluene;5-Methyl-1,3-dibromobenzene;NSC 87347;

Article Data 16

3,5-Dibromotoluene Specification

The IUPAC name of 3,5-Dibromotoluene is 1,3-dibromo-5-methylbenzene. With the CAS registry number 1611-92-3, it is also named as Benzene, 1,3-dibromo-5-methyl-. The product's categories are Blocks; Bromides; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Bromine Compounds; Aryl; C7; Halogenated Hydrocarbons. It is slightly yellow crystalline solid which is stable under normal temperature and pressure. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.18; (4)ACD/LogD (pH 7.4): 4.18; (5)ACD/BCF (pH 5.5): 877.24; (6)ACD/BCF (pH 7.4): 877.24; (7)ACD/KOC (pH 5.5): 4449.21; (8)ACD/KOC (pH 7.4): 4449.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 46.45 cm3; (14)Molar Volume: 138 cm3; (15)Polarizability: 18.41×10-24 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Enthalpy of Vaporization: 46.35 kJ/mol; (18)Vapour Pressure: 0.0436 mmHg at 25°C; (19)Exact Mass: 249.881579; (20)MonoIsotopic Mass: 247.883625; (21)Heavy Atom Count: 9; (22)Complexity: 82.9.

Preparation of 3,5-Dibromotoluene: It can be obtained by 2,6-dibromo-4-methyl-aniline. This reaction needs reagent tBuONO.

  

Uses of 3,5-Dibromotoluene: It can react with acrylic acid butyl ester to get 3,5-di(2-n-butylcarbonyl-trans-vinyl)-toluene. This reaction which is Heck reaction needs reagents NaOAc, P(t-Bu)3, Pd(OAc)2 and solvent N,N-dimethyl-acetamide at temperature of 130 °C. The reaction time is 1 day. The yield is 50%. 

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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 gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc(cc(Br)c1)C
2. InChI:InChI=1/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3 
3. InChIKey:DPKKOVGCHDUSAI-UHFFFAOYAA

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1611-92-3