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| CAS No.: | 17788-94-2 |
|---|---|
| Name: | 4,4''-Dibromo-p-terphenyl |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C18H12Br2 |
| Molecular Weight: | 388.101 |
| Synonyms: | p-Terphenyl,4,4''-dibromo- (6CI,8CI);4,4''-Dibromo-1,1':4',1''-terphenyl; |
| EINECS: | 677-187-6 |
| Density: | 1.538 g/cm3 |
| Melting Point: | 315 |
| Boiling Point: | 481.718 °C at 760 mmHg |
| Flash Point: | 285.478 °C |
| Appearance: | Yellow crystal powder |
| Risk Codes: | 22 |
| Safety: | 26 |
| PSA: | 0.00000 |
| LogP: | 6.54560 |
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Specification
The 4,4''-Dibromo-p-terphenyl, with the cas registry number 17788-94-2, has the systematic name of 4,4''-dibromo-1,1':4',1''-terphenyl. This chemical is a kind of yellow crystal powder, and it is usually used as the chemical reagent in lab.
The characteristics of this chemical are as below: (1)ACD/LogP: 7.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 266399; (6)ACD/BCF (pH 7.4): 266399; (7)ACD/KOC (pH 5.5): 266177; (8)ACD/KOC (pH 7.4): 266177; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 90.817 cm3; (15)Molar Volume: 252.372 cm3; (16)Polarizability: 36.003 ×10-24 cm3; (17)Surface Tension: 45.368 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 285.478 °C; (20)Enthalpy of Vaporization: 71.803 kJ/mol; (21)Boiling Point: 481.718 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:Brc1ccc(cc1)c2ccc(cc2)c3ccc(Br)cc3
(2)InChI:InChI=1/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
(3)InChIKey:VAIPJQIPFPRJKJ-UHFFFAOYAE