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| CAS No.: | 153733-75-6 |
|---|---|
| Name: | 2-METHYL-7-PHENYL-1H-INDENE, 97 |
| Molecular Structure: | |
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| Formula: | C16H14 |
| Molecular Weight: | 206.287 |
| Synonyms: | 2-Methyl-7-phenylindene; |
| Density: | 1.057 g/cm3 |
| Melting Point: | 47-49 °C(lit.) |
| Boiling Point: | 358.985 °C at 760 mmHg |
| Flash Point: | 183.712 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.31300 |
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Specification
The 2-methyl-7-phenylindene, with the CAS registry number 153733-75-6, is also known as 2-Methyl-7-phenylindene. This chemical's molecular formula is C16H14 and molecular weight is 206.28. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-7-phenyl-1H-indene.
Physical properties about 2-methyl-7-phenylindene are: (1)ACD/LogP: 4.483; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1504.41; (6)ACD/BCF (pH 7.4): 1504.41; (7)ACD/KOC (pH 5.5): 6545.72; (8)ACD/KOC (pH 7.4): 6545.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 67.327 cm3; (15)Molar Volume: 195.087 cm3; (16)Polarizability: 26.69×10-24cm3; (17)Surface Tension: 39.318 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 183.712 °C; (20) Enthalpy of Vaporization: 58.071 kJ/mol; (21)Boiling Point: 358.985 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: c1(cccc\2c1C/C(=C/2)C)c3ccccc3
(2) InChI: InChI=1S/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3
(3) InChIKey: JQCCMEDYANGBOG-UHFFFAOYSA-N