Name: 3-(2-FLUOROPHENOXY)BENZYL BROMIDE
SKU: 242812-04-0

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Basic Information

Molecular Structure:
CAS No.:	242812-04-0
Name:	3-(2-FLUOROPHENOXY)BENZYL BROMIDE

Formula:	C₁₃H₁₀BrFO
Molecular Weight:	281.124
Synonyms:	3-(Bromomethyl)phenyl 2-fluorophenyl ether;1-[3-(Bromomethyl)phenoxy]-2-fluorobenzene;3-(2-Fluorophenoxy)benzyl Bromide;
Density:	1.451 g/cm³
Boiling Point:	313.4 °C at 760 mmHg
Flash Point:	174.8 °C
Hazard Symbols:	T,Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	4.51290

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Specification

The Benzene,1-[3-(bromomethyl)phenoxy]-2-fluoro-, with the CAS registry number 242812-04-0, is also known as 3-(Bromomethyl)phenyl 2-fluorophenyl ether. This chemical's molecular formula is C₁₃H₁₀BrFO and molecular weight is 281.12. What's more, its systematic name is 1-[3-(bromomethyl)phenoxy]-2-fluorobenzene.

Physical properties of Benzene,1-[3-(bromomethyl)phenoxy]-2-fluoro- are: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3260.95; (6)ACD/BCF (pH 7.4): 3260.95; (7)ACD/KOC (pH 5.5): 11387.98; (8)ACD/KOC (pH 7.4): 11387.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 65.33 cm³; (15)Molar Volume: 193.7 cm³; (16)Polarizability: 25.9×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 53.24 kJ/mol; (21)Boiling Point: 313.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000916 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health at low levels. It may also cause inflammation to the skin or other mucous membranes. What's, more, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc2cc(Oc1ccccc1F)ccc2
(2)Std. InChI: InChI=1S/C13H10BrFO/c14-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)15/h1-8H,9H2
(3)Std. InChIKey: FWAHWPGVFDHNCH-UHFFFAOYSA-N