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

2-Bromo-5-nitrobenzotrifluoride

Related Products

Hot Products

Name

2-Bromo-5-nitrobenzotrifluoride

EINECS 609-288-8
CAS No. 367-67-9 Density 1.788 g/cm3
PSA 45.82000 LogP 3.89930
Solubility N/A Melting Point 41-44 °C(lit.)
Formula C7H3BrF3NO2 Boiling Point 245.2 °C at 760 mmHg
Molecular Weight 270.006 Flash Point 97.8 °C
Transport Information N/A Appearance yellow crystals
Safety 37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 367-67-9 (2-Bromo-5-nitrobenzotrifluoride) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Toluene,2-bromo-a,a,a-trifluoro-5-nitro-(6CI,8CI);1-Bromo-4-nitro-2-(trifluoromethyl)benzene;4-Bromo-3-trifluoromethylnitrobenzene;

Article Data 6

2-Bromo-5-nitrobenzotrifluoride Specification

The IUPAC name of 2-Bromo-5-nitrobenzotrifluoride is 1-bromo-4-nitro-2-(trifluoromethyl)benzene. With the CAS registry number 367-67-9, it is also named as Benzene, 1-bromo-4-nitro-2-(trifluoromethyl)-. The product's categories are Trifluoromethylbenzene serise; Benzene series; API intermediates; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. It is yellow crystalline powder which is used as liquid material intermediate.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.77; (6)ACD/BCF (pH 7.4): 135.77; (7)ACD/KOC (pH 5.5): 1170.25; (8)ACD/KOC (pH 7.4): 1170.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 45.46 cm3; (14)Molar Volume: 150.9 cm3; (15)Polarizability: 18.02×10-24 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Enthalpy of Vaporization: 46.27 kJ/mol; (18)Vapour Pressure: 0.0456 mmHg at 25°C; (19)Exact Mass: 268.929926; (20)MonoIsotopic Mass: 268.929926; (21)Topological Polar Surface Area: 45.8; (22)Heavy Atom Count: 14; (23)Complexity: 228.

Uses of 2-Bromo-5-nitrobenzotrifluoride: It can react with dihydroxy-(3-methoxy-phenyl)-borane to get 3'-methoxy-4-nitro-2-trifluoromethyl-biphenyl. This reaction needs reagent Pd(PPh3)4 and K2CO3,  and solvent ethanol and toluene at temperature of 110 °C. The reaction time is 10 hours. The yield is 99 %.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also 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:FC(F)(F)c1cc(ccc1Br)[N+]([O-])=O
2. InChI:InChI=1/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H 
3. InChIKey:SXEQQBBOAMHOID-UHFFFAOYAS

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 367-67-9