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CAS No.: | 2789-89-1 |
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Name: | Bis(4-bromophenyl)acetylene |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C14H8Br2 |
Molecular Weight: | 336.026 |
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; |
Density: | 1.74 g/cm3 |
Melting Point: | 182 °C |
Boiling Point: | 383.6 °C at 760 mmHg |
Flash Point: | 217.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | 4.61140 |
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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