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Benzene,1-bromo-2-chloro-4,5-difluoro-

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Name

Benzene,1-bromo-2-chloro-4,5-difluoro-

EINECS N/A
CAS No. 59447-06-2 Density 1.805 g/cm3
PSA 0.00000 LogP 3.38070
Solubility N/A Melting Point N/A
Formula C6H2BrClF2 Boiling Point 197.1 °C at 760 mmHg
Molecular Weight 227.436 Flash Point 73 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 59447-06-2 (1-BROMO-2-CHLORO-4,5-DIFLUOROBENZENE) Hazard Symbols IrritantXi
Synonyms

2-Chloro-4,5-difluorobromobenzene;1-Bromo-2-chloro-4,5-difluorobenzene;

Article Data 2

Benzene,1-bromo-2-chloro-4,5-difluoro- Specification

The Benzene, 1-bromo-2-chloro-4, 5-difluoro-, with the CAS registry number 59447-06-2, is also known as 2-Chloro-4, 5-difluorobromobenzene. This chemical's molecular formula is C6H2BrClF2 and molecular weight is 227.43. What's more, its IUPAC name is 1-Bromo-2-chloro-4, 5-difluorobenzene.

Physical properties about Benzene, 1-bromo-2-chloro-4, 5-difluoro- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 101.38; (6)ACD/BCF (pH 7.4): 101.38; (7)ACD/KOC (pH 5.5): 949.42; (8)ACD/KOC (pH 7.4): 949.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 38.82 cm3; (15)Molar Volume: 125.9 cm3; (16)Polarizability: 15.39×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.805 g/cm3; (19)Flash Point: 73 °C; (20)Enthalpy of Vaporization: 41.56 kJ/mol; (21)Boiling Point: 197.1 °C at 760 mmHg; (22)Vapour Pressure: 0.542 mmHg at 25 °C.

Uses of Benzene, 1-bromo-2-chloro-4, 5-difluoro-: it is used to produce other chemicals. For example, it is used to produce 3-(2-Chloro-4, 5-difluoro-phenyl)-acrylic acid. This reaction needs reagents PdCl2(PPh3)2 and K2CO3. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 6 hours with reaction temperature of 145-150 °C. The yield is about 83 %.

Benzene, 1-bromo-2-chloro-4, 5-difluoro- can react with Acrylic acid to get 3-(2-Chloro-4, 5-difluoro-phenyl)-acrylic acid.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)cc(Br)c(Cl)c1
(2) InChI: InChI=1/C6H2BrClF2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3) InChIKey: OKGLKEDYKFGKOW-UHFFFAOYAI

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