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4-Chloro-3,5-difluorobromobenzene

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Name

4-Chloro-3,5-difluorobromobenzene

EINECS N/A
CAS No. 176673-72-6 Density 1.805 g/cm3
PSA 0.00000 LogP 3.38070
Solubility N/A Melting Point N/A
Formula C6H2BrClF2 Boiling Point 190.511 °C at 760 mmHg
Molecular Weight 227.436 Flash Point 69.019 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 176673-72-6 (4-Chloro-3,5-difluorobromobenzene) Hazard Symbols IrritantXi
Synonyms

5-Bromo-2-chloro-1,3-difluorobenzene;5-Brom-2-chlor-1,3-difluorbenzol;

 

4-Chloro-3,5-difluorobromobenzene Specification

The 4-Chloro-3,5-difluorobromobenzene, with the CAS registry number 176673-72-6, is also known as 4-Fluorobenzeneboronic acid. This chemical's molecular formula is C6H2BrClF2 and molecular weight is 227.43. Its systematic name is called 5-bromo-2-chloro-1,3-difluorobenzene.

Physical properties of 4-Chloro-3,5-difluorobromobenzene: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 508.37; (6)ACD/BCF (pH 7.4): 508.37; (7)ACD/KOC (pH 5.5): 3010.85; (8)ACD/KOC (pH 7.4): 3010.85; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 38.82 cm3; (14)Molar Volume: 125.9 cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Density: 1.805 g/cm3; (17)Flash Point: 69 °C; (18)Enthalpy of Vaporization: 40.92 kJ/mol; (19)Boiling Point: 190.5 °C at 760 mmHg; (20)Vapour Pressure: 0.748 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(F)cc(Br)cc1F
(2)InChI: InChI=1/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
(3)InChIKey: SWELJVAWQMCJLG-UHFFFAOYAW

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