Bis(4-bromophenyl)acetylene supplier

Name
Bis(4-bromophenyl)acetylene
EINECS
CAS No. 2789-89-1
Article Data68
CAS DataBase
Density 1.74 g/cm³
Solubility
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
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 0.00000
LogP 4.61140

Bis(4-bromophenyl)acetylene Specification

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

Product Name

Bis(4-bromophenyl)acetylene

Bis(4-bromophenyl)acetylene Specification

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