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4-Bromo-2-fluorobenzyl alcohol

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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 Molecular Structure of 188582-62-9 (4-BROMO-2-FLUOROBENZYL ALCOHOL) Hazard Symbols IrritantXi
Synonyms

(4-Bromo-2-fluorophenyl)methanol;3-Fluoro-4-hydroxymethylbromobenzene;

Article Data 12

4-Bromo-2-fluorobenzyl alcohol Specification

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

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