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Quinaldine

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Name

Quinaldine

EINECS 202-085-1
CAS No. 91-63-4 Density 1.076 g/cm3
Solubility slightly soluble in water Melting Point -2 °C
Formula C10H9N Boiling Point 246.5 °C at 760 mmHg
Molecular Weight 143.20 Flash Point 79.4 °C
Transport Information Appearance yellowish-brown liquid
Safety 36-45-36/37/39-26 Risk Codes 21/22-68-36/37/38
Molecular Structure Molecular Structure of 91-63-4 (Quinoline, 2-methyl-) Hazard Symbols HarmfulXn
Synonyms

Quinaldine(8CI);2-Methylquinoline;Khinaldin;NSC 3397;

 

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Quinaldine, with the CAS registry number 91-63-4 and EINECS registry number  202-085-1, has the systematic name of 2-methylquinoline. It is a kind of yellowish-brown liquid, and belongs to the following product categories: Intermediates of Dyes and Pigments; Quinoline & Isoquinoline; Quinoline; Quinoline Derivertives; Alkylquinolines; Quinolines; Flavor. And the molecular formula of this chemical is C10H9N.

The physical properties of Quinaldine are as following: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 14.2; (6)ACD/BCF (pH 7.4): 48.93; (7)ACD/KOC (pH 5.5): 162.06; (8)ACD/KOC (pH 7.4): 558.56; (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: 1.624; (14)Molar Refractivity: 47.01 cm3; (15)Molar Volume: 133 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 46.4 kJ/mol; (21)Boiling Point: 246.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0425 mmHg at 25°C.

Preparations and uses of Quinaldine: It can be obtained from aniline and paraldehyde via Skraup synthesis or extracted from coal tar. It can also be prepared from aniline and crotonaldehyde via Doebner-von Miller variation of the Skraup reaction. What's more, it is used in anti-malaria drugs, in manufacturing dyes, food colorants, pharmaceuticals and pH indicators.

You should be cautious while dealing with this chemical. It is harmful in contact with skin and if swallowed, and it also irritates eyes, respiratory system and skin. What's more, it has possible risk of irreversible effects. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2ccccc2n1
(2)InChI: InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
(3)InChIKey: SMUQFGGVLNAIOZ-UHFFFAOYAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1870uL/kg (1.87mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 1230mg/kg (1230mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

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