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

3-Bromo-4-fluorotoluene

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

3-Bromo-4-fluorotoluene

EINECS 207-201-4
CAS No. 452-62-0 Density 1.498 g/cm3
PSA 0.00000 LogP 2.89660
Solubility N/A Melting Point N/A
Formula C7H6BrF Boiling Point 169.2 °C at 760 mmHg
Molecular Weight 189.027 Flash Point 73.3 °C
Transport Information N/A Appearance colorless to light yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 452-62-0 (3-Bromo-4-fluorotoluene) Hazard Symbols IrritantXi
Synonyms

2-bromo-1-fluoro-4-methyl-benzene;

 

3-Bromo-4-fluorotoluene Specification

The IUPAC name of 3-Bromo-4-fluorotoluene is 2-bromo-1-fluoro-4-methylbenzene. With the CAS registry number 452-62-0, it is also named as Benzene, 2-bromo-1-fluoro-4-methyl-. The product's categories are Fluorin-contained Toluene Series; Fluorobenzene; Aromatic Halides (substituted); Halogen Toluene; Miscellaneous; Bromine Compounds; Fluorine Compounds; Aryl; C7; Halogenated Hydrocarbons. It is colorless to light yellow liquid which should be sealed in the container and stored in the ventilate, cool and dry place.

The other characteristics of 3-Bromo-4-fluorotoluene can be summarized as: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.87; (6)ACD/BCF (pH 7.4): 231.87; (7)ACD/KOC (pH 5.5): 1716.51; (8)ACD/KOC (pH 7.4): 1716.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 38.76 cm3; (14)Molar Volume: 126.1 cm3; (15)Polarizability: 15.36×10-24 cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Enthalpy of Vaporization: 38.9 kJ/mol; (18)Vapour Pressure: 2.07 mmHg at 25°C; (19)Exact Mass: 187.963691; (20)MonoIsotopic Mass: 187.963691; (21)Heavy Atom Count: 9; (22)Complexity: 94.9.

Uses of 3-Bromo-4-fluorotoluene: It is used as intermediate of pharmaceuticals, pesticides and liquid crystal materials. It also can react with 1,1-dimethyl-2,3,4,5-tetraphenyl-1H-silole to get 4,11,11-trimethyl-1,8,9,10-tetraphenyl-11-sila-tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene. This reaction needs solvent tetrahydrofuran at temperature of 25 °C. The reaction time is 6 hours. The yield is 83%.

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 protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1Br)C
2. InChI:InChI=1/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
3. InChIKey:QLRKALMVPCQTMU-UHFFFAOYAN

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 452-62-0