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

2-Bromo-5-(trifluoromethyl)benzyl alcohol

Related Products

Hot Products

Name

2-Bromo-5-(trifluoromethyl)benzyl alcohol

EINECS N/A
CAS No. 869725-53-1 Density 1.667 g/cm3
PSA 20.23000 LogP 2.96020
Solubility N/A Melting Point 69-71°C
Formula C8H6BrF3O Boiling Point 262.6 °C at 760 mmHg
Molecular Weight 255.034 Flash Point 112.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 869725-53-1 (2-Bromo-5-(trifluoromethyl)benzyl alcohol) Hazard Symbols N/A
Synonyms

(2-Bromo-5-(trifluoromethyl)phenyl)methanol;2-Bromo-5-trifluoromethylbenzyl alcohol;

Article Data 12

2-Bromo-5-(trifluoromethyl)benzyl alcohol Specification

The 2-Bromo-5-(trifluoromethyl)benzyl alcohol is an organic compound with the formula C8H6BrF3O. The IUPAC name of this chemical is [2-bromo-5-(trifluoromethyl)phenyl]methanol. With the CAS registry number 869725-53-1, it is also named as Benzenemethanol, 2-bromo-5-(trifluoromethyl)-. It is used as pharmaceutical intermediate.

The other characteristics of 2-Bromo-5-(trifluoromethyl)benzyl alcohol can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.39; (6)ACD/BCF (pH 7.4): 24.39; (7)ACD/KOC (pH 5.5): 342.48; (8)ACD/KOC (pH 7.4): 342.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 45.37 cm3; (14)Molar Volume: 152.9 cm3; (15)Polarizability: 17.98×10-24 cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Enthalpy of Vaporization: 52.86 kJ/mol; (18)Vapour Pressure: 0.00545 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 253.955412; (21)MonoIsotopic Mass: 253.955412; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 13; (24)Complexity: 171.

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1ccc(cc1CO)C(F)(F)F
2. InChI:InChI=1/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
3. InChIKey:RXASTJJSPATSHH-UHFFFAOYAG
4. Std. InChI:InChI=1S/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2 
5. Std. InChIKey:RXASTJJSPATSHH-UHFFFAOYSA-N

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 869725-53-1