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CAS No.: | 1732-13-4 |
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Name: | 1,2,3,6,7,8-HEXAHYDROPYRENE |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C16H16 |
Molecular Weight: | 208.303 |
Synonyms: | 1,2,3,6,7,8-Hexahydropyrene;NSC 60599; |
EINECS: | 217-061-6 |
Density: | 1.146 g/cm3 |
Melting Point: | 130-134 °C(lit.) |
Boiling Point: | 397.2 °C at 760 mmHg |
Flash Point: | 213.3 °C |
Solubility: | 229.1ug/L(4 oC) |
Safety: | 22-24/25 |
PSA: | 0.00000 |
LogP: | 3.81720 |
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The Pyrene,1,2,3,6,7,8-hexahydro- is an organic compound with the formula C16H16. The IUPAC name of this chemical is 1,2,3,6,7,8-hexahydropyrene. With the CAS registry number 1732-13-4, it is also named as pyrene, 1,2,3,6,7,8-hexahydro-. The product's categories are Pyrenes; Arenes; Building Blocks; Organic Building Blocks. Besides, it should be stored in a closed cool and ddry place.
Physical properties about Pyrene,1,2,3,6,7,8-hexahydro- are: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.75; (4)ACD/LogD (pH 7.4): 5.75; (5)ACD/BCF (pH 5.5): 13798.19; (6)ACD/BCF (pH 7.4): 13798.19; (7)ACD/KOC (pH 5.5): 31979.58; (8)ACD/KOC (pH 7.4): 31979.58; (9)Index of Refraction: 1.677; (10)Molar Refractivity: 68.44 cm3; (11)Molar Volume: 181.7 cm3; (12)Polarizability: 27.13×10-24cm3; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 1.146 g/cm3; (15)Flash Point: 213.3 °C; (16)Enthalpy of Vaporization: 62.24 kJ/mol; (17)Boiling Point: 397.2 °C at 760 mmHg; (18)Vapour Pressure: 3.69E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by pyrene. This reaction will need reagent NaBH4, N,N-dimethylaniline and solvent ethanol. The reaction time is 6 hours. The yield is about 69%.
Uses of Pyrene,1,2,3,6,7,8-hexahydro-: it can be used to produce 4-bromo-1,2,3,6,7,8-hexahydro-pyrene. It will need reagent carbon disulfide, bromine.
You can still convert the following datas into molecular structure:
(1)SMILES: c14ccc3c2c1c(ccc2CCC3)CCC4
(2)InChI: InChI=1/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2
(3)InChIKey: MBAIEZXRGAOPKH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2
(5)Std. InChIKey: MBAIEZXRGAOPKH-UHFFFAOYSA-N