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Name |
Benzene, 4-bromo-2-(bromomethyl)-1-chloro- |
EINECS | N/A |
CAS No. | 149965-41-3 | Density | 1.934 g/cm3 |
PSA | 0.00000 | LogP | 3.99740 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5Br2Cl | Boiling Point | 286.531 °C at 760 mmHg |
Molecular Weight | 284.378 | Flash Point | 140.402 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2-(bromomethyl)-1-chlorobenzene; |
Article Data | 22 |
The Benzene, 4-bromo-2-(bromomethyl)-1-chloro- has the CAS registry number 149965-41-3. This chemical's molecular formula is C7H5Br2Cl and molecular weight is 284.38. What's more, its systematic name is 4-bromo-2-(bromomethyl)-1-chlorobenzene.
Physical properties of Benzene, 4-bromo-2-(bromomethyl)-1-chloro- are: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 956; (6)ACD/BCF (pH 7.4): 956; (7)ACD/KOC (pH 5.5): 4731; (8)ACD/KOC (pH 7.4): 4731; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 51.486 cm3; (14)Molar Volume: 147.061 cm3; (15)Polarizability: 20.411×10-24cm3; (16)Surface Tension: 45.807 dyne/cm; (17)Density: 1.934 g/cm3; (18)Flash Point: 140.402 °C; (19)Enthalpy of Vaporization: 50.456 kJ/mol; (20)Boiling Point: 286.531 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cc(Br)cc1)CBr
(2)InChI: InChI=1S/C7H5Br2Cl/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
(3)InChIKey: LARDKFQCEKGHTB-UHFFFAOYSA-N