1,3-Dimethylpyrene supplier | CasNO.64401-21-4

Name
PYRENE,1,3-DIMETHYL-
EINECS
CAS No. 64401-21-4
Article Data6
CAS DataBase
Density 1.183g/cm³
Solubility
Melting Point
Formula C₁₈H₁₄
Boiling Point 401.7 °C at 760 mmHg
Molecular Weight 230.309
Flash Point 188.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms pyrene, 1,3-dimethyl-
PSA 0.00000
LogP 5.20080

1,3-Dimethylpyrene Specification

The 1,3-Dimethylpyrene, with CAS registry number 64401-21-4, has the systematic name of 1,3-dimethylpyrene. Besides this, it is also called Pyrene,1,3-dimethyl-. And the chemical formula of this chemical is C₁₈H₁₄.

Physical properties of 1,3-Dimethylpyrene: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.09; (4)ACD/LogD (pH 7.4): 6.09; (5)ACD/BCF (pH 5.5): 25074.89; (6)ACD/BCF (pH 7.4): 25074.89; (7)ACD/KOC (pH 5.5): 49041.17; (8)ACD/KOC (pH 7.4): 49041.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.786; (14)Molar Refractivity: 82.11 cm³; (15)Molar Volume: 194.5 cm³; (16)Polarizability: 32.55×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 188.5 °C; (20)Enthalpy of Vaporization: 62.73 kJ/mol; (21)Boiling Point: 401.7 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethyl-1,2,3,5-tetrahydro-pyrene. This reaction will need reagent DDQ and solvent toluene. The yield is about 30%.

1,3-Dimethylpyrene can be prepared by 1,3-dimethyl-1,2,3,5-tetrahydro-pyrene.

You can still convert the following datas into molecular structure:
(1)SMILES: c4cc2ccc1c(cc(c3c1c2c(cc3)c4)C)C
(2)InChI: InChI=1/C18H14/c1-11-10-12(2)16-9-7-14-5-3-4-13-6-8-15(11)18(16)17(13)14/h3-10H,1-2H3
(3)InChIKey: UWCWYAZCQUDPOX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C18H14/c1-11-10-12(2)16-9-7-14-5-3-4-13-6-8-15(11)18(16)17(13)14/h3-10H,1-2H3
(5)Std. InChIKey: UWCWYAZCQUDPOX-UHFFFAOYSA-N

Product Name

PYRENE,1,3-DIMETHYL-

1,3-Dimethylpyrene Specification

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