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3-Methylbenzo[f]quinoline

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Name

3-Methylbenzo[f]quinoline

EINECS 201-584-1
CAS No. 85-06-3 Density 1.155 g/cm3
PSA 12.89000 LogP 3.69640
Solubility Slightly soluble in water. Melting Point 73-78 °C
Formula C14H11N Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 193.248 Flash Point 154.8 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 85-06-3 (3-METHYLBENZO-5,6-QUINOLINE) Hazard Symbols N/A
Synonyms

3-Methylbenzo-5,6-quinoline;β-Naphthoquinaldine;

Article Data 21

3-Methylbenzo[f]quinoline 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

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