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4-Bromo-3-fluorophenol

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Name

4-Bromo-3-fluorophenol

EINECS N/A
CAS No. 121219-03-2 Density 1.764 g/cm3
PSA 20.23000 LogP 2.29380
Solubility N/A Melting Point 71.5 °C
Formula C6H4BrFO Boiling Point 231.5 °C at 760 mmHg
Molecular Weight 191 Flash Point 93.8 °C
Transport Information N/A Appearance white solid
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 121219-03-2 (4-Bromo-3-fluorophenol) Hazard Symbols IrritantXi
Synonyms

3-Fluoro-4-bromophenol;

Article Data 9

4-Bromo-3-fluorophenol Specification

The 4-Bromo-3-fluorophenol, with the CAS registry number 121219-03-2, has the systematic name of 4-bromo-3-fluorophenol. It belongs to the following product categories: Blocks; Bromides; Fluoro Compounds; Aromatic Phenols; Fluoro benzene; Phenol&Thiophenol & Mercaptan. And the molecular formula of the chemical is C6H4BrFO.

The characteristics of 4-Bromo-3-fluorophenol are as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 86.28; (6)ACD/BCF (pH 7.4): 78.52; (7)ACD/KOC (pH 5.5): 845.66; (8)ACD/KOC (pH 7.4): 769.6; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.81 cm3; (15)Molar Volume: 108.2 cm3; (16)Polarizability: 14.19×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.764 g/cm3; (19)Flash Point: 93.8 °C; (20)Enthalpy of Vaporization: 48.71 kJ/mol; (21)Boiling Point: 231.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0411 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(O)ccc1Br
(2)InChI: InChI=1/C6H4BrFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
(3)InChIKey: MRQYTJXVULSNIS-UHFFFAOYAG

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