CAS No.108166-03-6,2-Methyl-6-quinolinecarbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108166-03-6
Name:	2-Methyl-6-quinolinecarbaldehyde
Article Data:	1

Formula:	C₁₁H₉NO
Molecular Weight:	171.199
Synonyms:	2-Methyl-6-quinolinecarbaldehyde; 2-methylquinoline-6-carbaldehyde;
Density:	1.183 g/cm³
Melting Point:	96-99oC
Boiling Point:	315.612 °C at 760 mmHg
Flash Point:	152.67 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-26-36/37/39
PSA:	29.96000
LogP:	2.35570

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Specification

The 2-Methyl-6-quinolinecarbaldehyde is an organic compound with the formula C₁₁H₉NO. The IUPAC name of this chemical is 2-methylquinoline-6-carbaldehyde. With the CAS registry number 108166-03-6, it is also named as 6-quinolinecarboxaldehyde, 2-methyl-. The product's categories are Heterocyclic Compounds; Quinolines. In addition, the molecular weight is 171.19.

The other characteristics of 2-Methyl-6-quinolinecarbaldehyde can be summarized as: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 14.2; (6)ACD/BCF (pH 7.4): 18.29; (7)ACD/KOC (pH 5.5): 216.05; (8)ACD/KOC (pH 7.4): 278.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 53.76 cm³; (15)Molar Volume: 144.7 cm³; (16)Polarizability: 21.31×10^-24 cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 152.7 °C; (20)Enthalpy of Vaporization: 55.69 kJ/mol; (21)Boiling Point: 315.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000432 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1ccc2nc(ccc2c1)C
2. InChI:InChI=1/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3
3. InChIKey:WAPQHBBEWPVBTO-UHFFFAOYAT
4. Std. InChI:InChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3
5. Std. InChIKey:WAPQHBBEWPVBTO-UHFFFAOYSA-N