Products Categories
| CAS No.: | 869725-53-1 |
|---|---|
| Name: | 2-Bromo-5-(trifluoromethyl)benzyl alcohol |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6BrF3O |
| Molecular Weight: | 255.034 |
| Synonyms: | (2-Bromo-5-(trifluoromethyl)phenyl)methanol;2-Bromo-5-trifluoromethylbenzyl alcohol; |
| Density: | 1.667 g/cm3 |
| Melting Point: | 69-71°C |
| Boiling Point: | 262.6 °C at 760 mmHg |
| Flash Point: | 112.6 °C |
| PSA: | 20.23000 |
| LogP: | 2.96020 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
What can I do for you?
Get Best Price
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