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| CAS No.: | 85-06-3 |
|---|---|
| Name: | 3-METHYLBENZO-5,6-QUINOLINE |
| Molecular Structure: | |
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| Formula: | C14H11N |
| Molecular Weight: | 193.248 |
| Synonyms: | 3-Methylbenzo-5,6-quinoline;β-Naphthoquinaldine; |
| EINECS: | 201-584-1 |
| Density: | 1.155 g/cm3 |
| Melting Point: | 73-78 °C |
| Boiling Point: | 352.5 °C at 760 mmHg |
| Flash Point: | 154.8 °C |
| Solubility: | Slightly soluble in water. |
| Safety: | 22-24/25 |
| PSA: | 12.89000 |
| LogP: | 3.69640 |
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- Total:13 Page 1 of 1 1
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Specification
The Benzo[f]quinoline,3-methyl-, with the CAS registry number 85-06-3, is also known as 3-Methylbenzo-5,6-quinoline and β-Naphthoquinaldine. Its EINECS registry number is 201-584-1. This chemical's molecular formula is C14H11N and molecular weight is 193.24. What's more, both its IUPAC name and systematic name are the same which is called 3-Methylbenzo[f]quinoline.
Physical properties about this chemical are: (1)ACD/LogP: 3.78; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 120.35; (6)ACD/BCF (pH 7.4): 421.3; (7)ACD/KOC (pH 5.5): 744.92; (8)ACD/KOC (pH 7.4): 2607.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2 ; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 64.85 cm3; (15)Molar Volume: 167.1 cm3; (16)Polarizability: 25.71×10-24 cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 154.8 °C; (20)Enthalpy of Vaporization: 57.38 kJ/mol; (21)Boiling Point: 352.5 °C at 760 mmHg; (22)Vapour Pressure: 7.75E-05 mmHg at 25 °C; (23)Melting Point: 73-78 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes and do not breathe dust.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1ccc3c(c1ccc2C)cccc3
(2) InChI: InChI=1/C14H11N/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15-10/h2-9H,1H3
(3) InChIKey: SUHRSZJZYUCLOD-UHFFFAOYAU