Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene |
EINECS | N/A |
CAS No. | 96804-05-6 | Density | 1.334 g/cm3 |
PSA | 43.76000 | LogP | 3.94030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17BrO2S | Boiling Point | 344.87 °C at 760 mmHg |
Molecular Weight | 305.236 | Flash Point | 162.372 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzene, 1-bromo-4-[(2,2-diethoxyethyl)thio]-; |
Article Data | 6 |
The 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene with the cas number 96804-05-6, is also called benzene, 1-bromo-4-[(2,2-diethoxyethyl)thio]-. Its molecular formula is C12H17BrO2S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 43.76 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 73.728 cm3; (9)Molar Volume: 228.835 cm3; (10)Polarizability: 29.228×10-24cm3; (11)Surface Tension: 43.04 dyne/cm; (12)Enthalpy of Vaporization: 56.559 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(SCC(OCC)OCC)cc1
(2)InChI: InChI=1/C12H17BrO2S/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3