Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Bromo-3-chloro-5-iodobenzene |
EINECS | N/A |
CAS No. | 13101-40-1 | Density | 2.273 g/cm3 |
PSA | 0.00000 | LogP | 3.70710 |
Solubility | N/A | Melting Point |
85.8℃ |
Formula | C6H3BrClI | Boiling Point | 280.408 °C at 760 mmHg |
Molecular Weight | 317.351 | Flash Point | 123.386 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-BROMO-3-CHLORO-5-IODOBENZENE |
Article Data | 5 |
The Benzene,1-bromo-3-chloro-5-iodo-, with CAS registry number 13101-40-1, has the systematic name of 1-bromo-3-chloro-5-iodobenzene. Besides this, it is also called Benzene, 3-bromo-5-chloro-1-iodo-. And the chemical formula of this chemical is C6H3BrClI.
Physical properties of Benzene,1-bromo-3-chloro-5-iodo-: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 792.84; (6)ACD/BCF (pH 7.4): 792.84; (7)ACD/KOC (pH 5.5): 4138.47; (8)ACD/KOC (pH 7.4): 4138.47; (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: 1.663; (14)Molar Refractivity: 51.74 cm3; (15)Molar Volume: 139.6 cm3; (16)Polarizability: 20.51×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 2.272 g/cm3; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 49.83 kJ/mol; (21)Boiling Point: 280.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00644 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Br)cc(I)c1
(2)InChI: InChI=1/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
(3)InChIKey: RSGRRCWDCXLEHS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
(5)Std. InChIKey: RSGRRCWDCXLEHS-UHFFFAOYSA-N