Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Bis(4-bromophenyl)acetylene |
EINECS | N/A |
CAS No. | 2789-89-1 | Density | 1.74 g/cm3 |
PSA | 0.00000 | LogP | 4.61140 |
Solubility | N/A | Melting Point |
182 °C |
Formula | C14H8Br2 | Boiling Point | 383.6 °C at 760 mmHg |
Molecular Weight | 336.026 | Flash Point | 217.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetylene,bis(p-bromophenyl)- (7CI,8CI);1,2-Bis(4-bromophenyl)ethyne;4,4'-Dibromotolan;4,4'-Dibromotolane;Bis(4-bromophenyl)acetylene;Bis(4-bromophenyl)ethyne;p,p'-Dibromotolan; |
Article Data | 68 |
The Bis(4-bromophenyl)acetylene, with the cas registry number 2789-89-1, has the systematic name of 1,1'-ethyne-1,2-diylbis(4-bromobenzene). It is a kind of off-white crystalline powder, and it belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives and Miscellaneous. And the molecular formula of the chemical is C14H8Br2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 6.32; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 74.17 cm3; (9)Molar Volume: 192.5 cm3; (10)Polarizability: 29.4×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Density: 1.74 g/cm3; (13)Flash Point: 217.2 °C; (14)Enthalpy of Vaporization: 60.74 kJ/mol; (15)Boiling Point: 383.6 °C at 760 mmHg; (16)Vapour Pressure: 9.62E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(C#Cc1ccc(Br)cc1)cc2
(2)InChI: InChI=1/C14H8Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H
(3)InChIKey: FJQGIJIHOXZMMJ-UHFFFAOYAG