2-Methylquinoline

CAS No. 91-63-4

Formula: C10H9N
Basic Info

Quinaldine or 2-methylquinoline is a simple derivative of a heterocyclic compound quinoline.
Quinaldine has critical point at 787 K and 4.9 MPa and its refractive index is 1.8116.
It can be prepared from aniline and paraldehyde via Skraup synthesis or from aniline and crotonaldehyde via Doebner-von Miller variation of the Skraup reaction or extracted from coal tar.

Formula
C10H9N
Molecular Weight
143.185
Exact Mass
143.073
LogP
2.5432
PSA
12.89
Synonyms

Quinoline, 2-methyl-

Quinaldine

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Properties
Appearance & Physical State
light yellow ( colourless)
Density
1.058
Boiling Point
248ºC
Melting Point
-2ºC
Flash Point
79ºC
Refractive Index
1.6108-1.6138
Water Solubility
PRACTICALLY INSOLUBLE
Stability
Stable, but may be light sensitive. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
UZ9625000
Safety Statements
S26-S36/37/39-S45
WGK Germany
3
Risk Statements
R21/22; R36/37/38; R68
HS Code
29334990
Hazard Class
6.1
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1294.
Temperature Control
140.
Method
isothermal
Comments
He
Reference
Dmitrikov, V.P.Nabivach, V.M.Physico-chemical regularities of quinoline bases retention in gas chromatographyCoke Chem. (Engl. Transl.)1995, 8, 27-34.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1308.
Temperature Control
160.
Method
isothermal
Comments
He
Reference
Dmitrikov, V.P.Nabivach, V.M.Physico-chemical regularities of quinoline bases retention in gas chromatographyCoke Chem. (Engl. Transl.)1995, 8, 27-34.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1294.
Temperature Control
140.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.22 mm
Reference
Berlizov, Yu.S.Nabivach, V.M.Mitrikov, V.P.Capillary gas chromatography of alkylquinolinesZh. Anal. Khim.1987, 62, 6, 1119-1124.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1308.
Temperature Control
160.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.22 mm
Reference
Berlizov, Yu.S.Nabivach, V.M.Mitrikov, V.P.Capillary gas chromatography of alkylquinolinesZh. Anal. Khim.1987, 62, 6, 1119-1124.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1293.
Temperature Control
150.
Method
isothermal
Comments
N2; Column length: 20. m; Column diameter: 0.23 mm
Reference
Morishita, F.Morimoto, S.Kojima, T.Prediction of molecular structures of aza-arenes by retention indices and fluorescence spectraJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 11, 688-692.
Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
500 mg/24H
Toxic Effects
--
Reference
Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,850,1986
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
1230 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
1870 uL/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

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