Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2-fluorobenzyl alcohol |
EINECS | -0 |
CAS No. | 188582-62-9 | Density | 1.658 g/cm3 |
PSA | 20.23000 | LogP | 2.08050 |
Solubility | N/A | Melting Point |
31-35 °C |
Formula | C7H6BrFO | Boiling Point | 262.4 °C at 760 mmHg |
Molecular Weight | 205.026 | Flash Point | 112.5 °C |
Transport Information | N/A | Appearance | white to light yellow crystalline powder or chunks |
Safety | 24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(4-Bromo-2-fluorophenyl)methanol;3-Fluoro-4-hydroxymethylbromobenzene; |
Article Data | 12 |
The IUPAC name of 4-Bromo-2-fluorobenzyl alcohol is (4-bromo-2-fluorophenyl)methanol. With the CAS registry number 188582-62-9, it is also named as Benzenemethanol,4-bromo-2-fluoro-. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Bromine Compounds; Fluorine Compounds. Besides, it is white to light yellow crystalline powder or chunks, which should be stored in sealed cool, ventilated and dry place. In addition, its molecular formula is C7H6BrFO and molecular weight is 205.02.
The other characteristics of 4-Bromo-2-fluorobenzyl alcohol can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.95; (6)ACD/BCF (pH 7.4): 14.95; (7)ACD/KOC (pH 5.5): 241.21; (8)ACD/KOC (pH 7.4): 241.21; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 40.38 cm3; (14)Molar Volume: 123.6 cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Density: 1.658 g/cm3; (17)Flash Point: 112.5 °C; (18)Melting Point: 31-35 °C; (19)Enthalpy of Vaporization: 52.85 kJ/mol; (20)Boiling Point: 262.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0055 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(F)c(cc1)CO
(2)InChI:InChI=1/C7H6BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
(3)InChIKey:BWBJZMQPVBWEJU-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C7H6BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
(5)Std. InChIKey:BWBJZMQPVBWEJU-UHFFFAOYSA-N