Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-1-chloro-3,5-difluorobenzene |
EINECS | N/A |
CAS No. | 883546-16-5 | Density | 1.805g/cm3 |
PSA | 0.00000 | LogP | 3.38070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2BrClF2 | Boiling Point | 175.6 °C at 760 mmHg |
Molecular Weight | 227.436 | Flash Point | 60 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-1-chloro-3,5-difluorobenzene;1-Bromo-4-chloro-2,6-difluorobenzene;4-Chloro-2,6-difluorobromobenzene;Benzene, 2-broMo-5-chloro-1,3-difluoro- |
Article Data | 1 |
The 4-Bromo-1-chloro-3,5-difluorobenzene, with CAS registry number 883546-16-5, belongs to the following product category: Phenetole. It has the systematic name of 2-bromo-5-chloro-1,3-difluorobenzene. Besides this, it is also called 4-Bromo-1-chloro-3,5-difluorobenzene. And the chemical formula of this chemical is C6H2BrClF2.
Physical properties of 4-Bromo-1-chloro-3,5-difluorobenzene: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.51; (6)ACD/BCF (pH 7.4): 56.51; (7)ACD/KOC (pH 5.5): 624.86; (8)ACD/KOC (pH 7.4): 624.86; (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: 15.39×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.805 g/cm3; (19)Flash Point: 60 °C; (20)Enthalpy of Vaporization: 39.5 kJ/mol; (21)Boiling Point: 175.6 °C at 760 mmHg; (22)Vapour Pressure: 1.53 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(F)c(Br)c(F)c1
(2)InChI: InChI=1/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
(3)InChIKey: OUMNGNRBHZGAMH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
(5)Std. InChIKey: OUMNGNRBHZGAMH-UHFFFAOYSA-N