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118688-56-5

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Basic Information
CAS No.: 118688-56-5
Name: 1,3,5-TRIS(PHENYLETHYNYL)BENZENE
Article Data: 14
Molecular Structure:
Molecular Structure of 118688-56-5 (1,3,5-TRIS(PHENYLETHYNYL)BENZENE)
Formula: C30H18
Molecular Weight: 378.473
Synonyms: Benzene,1,3,5-tris(phenylethynyl)- (9CI);1,3,5-Tris(phenylethynyl)benzene;sym-Tris(phenylethynyl)benzene;
Density: 1.19 g/cm3
Melting Point: 141-142 °C
Boiling Point: 603.17 °C at 760 mmHg
Flash Point: 319.206 °C
Risk Codes: 10-20/21/22-36/37/38
Safety: 16-26-36
Transport Information: UN 1993
PSA: 0.00000
LogP: 5.88600
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Specification

The Benzene, 1, 3, 5-tris(2-phenylethynyl)-, with the CAS registry number of 118688-56-5, is also known as Trisphenylethynylbenzene. It belongs to the product category of Aromatic Hydrocarbons (substituted) & Derivatives. This chemical's molecular formula is C30H18 and molecular weight is 378.46. What's more, its IUPAC name is 1, 3, 5-Tris(2-phenylethynyl)benzene.

Physical properties about Benzene, 1, 3, 5-tris(2-phenylethynyl)- are: (1)ACD/LogP: 9.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5813851; (8)ACD/KOC (pH 7.4): 5813851; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 122.696 cm3; (15)Molar Volume: 315.715 cm3; (16)Surface Tension: 64.257 dyne/cm; (17)Density: 1.199 g/cm3; (18)Flash Point: 319.206 °C; (19)Enthalpy of Vaporization: 86.42 kJ/mol; (20)Boiling Point: 603.17 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using Benzene, 1, 3, 5-tris(2-phenylethynyl)-, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1cc(cc(c1)C#Cc2ccccc2)C#Cc3ccccc3)c4ccccc4
(2) InChI: InChI=1/C30H18/c1-4-10-25(11-5-1)16-19-28-22-29(20-17-26-12-6-2-7-13-26)24-30(23-28)21-18-27-14-8-3-9-15-27/h1-15,22-24H
(3) InChIKey: YUOGUVUAZGQYFR-UHFFFAOYAZ