Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(2-Chloroethoxy)-bromobenzene |
EINECS | N/A |
CAS No. | 730978-54-8 | Density | 1.495 g/cm3 |
PSA | 9.23000 | LogP | 3.06670 |
Solubility | N/A | Melting Point |
N/A |
Formula |
C8H8BrClO   |
Boiling Point | 271.795 °C at 760 mmHg |
Molecular Weight | 235.508 | Flash Point | 118.178 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(2-CHLOROETHOXY)-BROMOBENZENE;UKRORGSYN-BB BBV-1775309 |
Article Data | 4 |
The 3-(2-Chloroethoxy)-bromobenzene with CAS registry number of 730978-54-8 is also named UKRORGSYN-BB BBV-1775309. Its systematic name is 1-Bromo-3-(2-chloroethoxy)benzene. In addition, the formula is C8H8BrClO and the molecular weight is 235.5055.
Physical properties about this chemical are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.519; (4)ACD/LogD (pH 7.4): 3.519; (5)ACD/BCF (pH 5.5): 278.139; (6)ACD/BCF (pH 7.4): 278.139; (7)ACD/KOC (pH 5.5): 1955.276; (8)ACD/KOC (pH 7.4): 1955.276; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.104 cm3; (15)Molar Volume: 157.512 cm3; (16)Polarizability: 19.863×10-24cm3; (17)Surface Tension: 38.622 dyne/cm ; (18)Density: 1.495 g/cm3; (19)Flash Point: 118.178 °C; (20)Enthalpy of Vaporization: 48.951 kJ/mol; (21)Boiling Point: 271.795 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1cc(cc(c1)Br)OCCCl
2. InChI: InChI=1/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
3. InChIKey: SKCZJIJRFHLPCY-UHFFFAOYAR
4. Std. InChI: InChI=1S/C8H8BrClO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
5. Std. InChIKey: SKCZJIJRFHLPCY-UHFFFAOYSA-N