9,10-Bis(phenylethynyl)-2-methylanthracene supplier

Name
9,10-Bis(phenylethynyl)-2-methylanthracene
EINECS
CAS No. 51580-23-5
Density 1.21 g/cm³
Solubility
Melting Point 225-226 °C
Formula C₃₁H₂₀
Boiling Point 624.7 °C at 760 mmHg
Molecular Weight 392.5
Flash Point 332.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthracene,2-methyl-9,10-bis(phenylethynyl)- (6CI,9CI);Bisphenylethynylmethylanthracene;anthracene, 2-methyl-9,10-bis(2-phenylethynyl)-;2-Methyl-9,10-bis(phenylethynyl)anthracene;
PSA 0.00000
LogP 7.10100

9,10-Bis(phenylethynyl)-2-methylanthracene Specification

The IUPAC name of 9,10-Bis(phenylethynyl)-2-methylanthracene is 2-methyl-9,10-bis(2-phenylethynyl)anthracene. With the CAS registry number 51580-23-5, it is also named as MBPEA. In addition, its molecular formula is C₃₁H₂₀ and molecular weight is 392.49.

The other characteristics of 9,10-Bis(phenylethynyl)-2-methylanthracene can be summarized as: (1)ACD/LogP: 10.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.26; (4)ACD/LogD (pH 7.4): 10.26; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9123725; (8)ACD/KOC (pH 7.4): 9123725; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.74; (13)Molar Refractivity: 130.45 cm³; (14)Molar Volume: 323.3 cm³; (15)Polarizability: 51.71×10^-24cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 332.6 °C; (19)Enthalpy of Vaporization: 89.12 kJ/mol; (20)Boiling Point: 624.7 °C at 760 mmHg; (21)Vapour Pressure: 7.52E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc4ccc5c(C#Cc1ccccc1)c2ccccc2c(C#Cc3ccccc3)c5c4
(2)InChI: InChI=1/C31H20/c1-23-16-19-29-28(20-17-24-10-4-2-5-11-24)26-14-8-9-15-27(26)30(31(29)22-23)21-18-25-12-6-3-7-13-25/h2-16,19,22H,1H3
(3)InChIKey: KBIWITFMKHHGQY-UHFFFAOYAK

Product Name

9,10-Bis(phenylethynyl)-2-methylanthracene

9,10-Bis(phenylethynyl)-2-methylanthracene Specification

Related Products

Hot Products