CAS No.458-50-4,4-BROMO-3-FLUOROANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	458-50-4
Name:	4-BROMO-3-FLUOROANISOLE
Article Data:	17

Formula:	C₇H₆BrFO
Molecular Weight:	205.026
Synonyms:	Anisole,4-bromo-3-fluoro- (8CI);1-Bromo-2-fluoro-4-methoxybenzene;3-Fluoro-4-bromoanisole;4-Bromo-3-fluoroanisole;AC1MW4US;SBB055267;ZINC02574363;AC-3764;
Density:	1.531 g/cm³
Melting Point:	217-219 °C
Boiling Point:	195.4 °C at 760 mmHg
Flash Point:	85.4 °C
Appearance:	liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	23-26-37-60
PSA:	9.23000
LogP:	2.59680

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Specification

The 4-Bromo-3-fluoroanisole with CAS registry number of 458-50-4 is also known as 3-Fluoro-4-bromo anisole. The IUPAC name is 1-Bromo-2-fluoro-4-methoxybenzene. It belongs to product categories of Anisole. In addition, the formula is C₇H₆BrFO and the molecular weight is 205.02. This chemical should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about 4-Bromo-3-fluoroanisole are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23Å²; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 40.61 cm³; (9)Molar Volume: 133.8 cm³; (10)Polarizability: 16.1×10^-24cm³; (11)Surface Tension: 33.3 dyne/cm; (12)Density: 1.531 g/cm³; (13)Flash Point: 85.4 °C; (14)Enthalpy of Vaporization: 41.39 kJ/mol; (15)Boiling Point: 195.4 °C at 760 mmHg; (16)Vapour Pressure: 0.59 mmHg at 25 °C

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC(=C(C=C1)Br)F
2. InChI: InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
3. InChIKey: XANVIFOBBVAKCY-UHFFFAOYSA-N