CAS No.104197-14-0,4-Bromo-2,6-difluoroanisole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104197-14-0
Name:	4-Bromo-2,6-difluoroanisole
Article Data:	5

Formula:	C₇H₅BrF₂O
Molecular Weight:	223.017
Synonyms:	Benzene, 5-bromo-1,3-difluoro-2-methoxy-;
Density:	1.615 g/cm³
Boiling Point:	214.2 °C at 760 mmHg
Flash Point:	98.5 °C
Solubility:	Insoluble in water.
Appearance:	clear, colorless liquid
Hazard Symbols:	Xi, F
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.23000
LogP:	2.73590

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Specification

The 4-Bromo-2,6-difluoroanisole is an organic compound with the formula C₇H₅BrF₂O. The IUPAC name of this chemical is 5-bromo-1,3-difluoro-2-methoxybenzene. With the CAS registry number 104197-14-0, it is also named as 4-Bromo-2,6-difluorophenyl methyl ether. In addition, this chemical is light sensitive and should be stored cold.

The other characteristics of 4-Bromo-2,6-difluoroanisole can be summarized as: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.53; (6)ACD/BCF (pH 7.4): 155.53; (7)ACD/KOC (pH 5.5): 1289.79; (8)ACD/KOC (pH 7.4): 1289.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 40.6 cm³; (14)Molar Volume: 138 cm³; (15)Polarizability: 16.09×10^-24 cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Enthalpy of Vaporization: 43.21 kJ/mol; (18)Vapour Pressure: 0.231 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 221.949184; (21)MonoIsotopic Mass: 221.949184; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 11; (24)Complexity: 122.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1c(OC)c(F)cc(Br)c1
2. InChI:InChI=1/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
3. InChIKey:CDOQKISJPOWBKC-UHFFFAOYAL