CAS No.91-63-4,Quinaldine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	91-63-4
Name:	Quinaldine
Article Data:	405

Formula:	C₁₀H₉N
Molecular Weight:	143.188
Synonyms:	Quinaldine(8CI);2-Methylquinoline;Khinaldin;NSC 3397;
EINECS:	202-085-1
Density:	1.076 g/cm³
Melting Point:	-2 °C
Boiling Point:	246.5 °C at 760 mmHg
Flash Point:	79.4 °C
Solubility:	slightly soluble in water
Appearance:	yellowish-brown liquid
Hazard Symbols:	Xn
Risk Codes:	21/22-68-36/37/38
Safety:	36-45-36/37/39-26
PSA:	12.89000
LogP:	2.54320

Synthetic route

: 7661-39-4
2-n-butylquinoline

A: 91-63-4
2-methylquinoline

B: 187737-37-7
propene

Conditions

Conditions	Yield
In benzene Ambient temperature; Irradiation;	A 100% B 100%

: 1011-50-3
2-quinolin-2-yl-ethanol

A: 91-63-4
2-methylquinoline

B: 50-00-0
formaldehyd

Conditions

Conditions	Yield
In benzene Ambient temperature; Irradiation;	A 100% B 100%

: 1026-05-7
2-methyl-1,2,3,4-tetrahydroquinolin-4-yl-(phenyl)amine

A: 91-63-4
2-methylquinoline

B: 62-53-3
aniline

Conditions

Conditions	Yield
With palladium dichloride In acetonitrile	A 100% B 100%

: 1125-81-1
2-methyl-1,2-dihydroquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
Stage #1: 2-methyl-1,2-dihydroquinoline With sodium hydroxide In ethanol at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Irradiation; Stage #2: With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III) In ethanol at 20℃; for 1h;	99%
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; Co(dmgH)2(4-MeCO2Py)Cl In water at 28℃; for 4h; Mechanism; Schlenk technique; Inert atmosphere; Irradiation;	91%
With arsenic(V) oxide
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; iodine; (S)-(-)-(6,6’-dimethoxybiphenyl-2,2’-diyl)bis(diphenylphosphine) In toluene at 20℃;
With rose bengal; oxygen; potassium carbonate In N,N-dimethyl acetamide at 20℃; for 12h; Irradiation;

: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III) In ethanol at 30℃; for 6h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; Irradiation;	99%
With 6C44H32N6O4Ru(2+)12Hf(2+)8O(2-)14HO(1-)6C16H22ClCoN5O6(1-) In 2,2,2-trifluoroethanol; acetonitrile at 20℃; for 24h; Catalytic behavior; Inert atmosphere; Irradiation;	99%
With isolated cobalt single atom sites stabilized on an ordered porous nitrogen doped carbon matrix In 1,3,5-trimethyl-benzene at 120℃; for 8h; Schlenk technique;	96%

: 265990-67-8
(E)-4-(2-aminophenyl)but-3-en-2-one

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Irradiation;	99%
In ethanol at 30℃; Concentration; Solvent; UV-irradiation; Flow reactor;	91%
In benzene for 0.366667h; Irradiation;	74%

: 92-46-6
6-chloro-2-methylquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With methylene chloride; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide electrolysis, -2.0 V;	90%

: 102102-32-9
1,1,2,2-Tetraphenyl-ethane-1,2-diol; compound with 2-methyl-quinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
at 120℃; under 5 Torr;	90%

: 123-73-9
trans-Crotonaldehyde

: 62-53-3
aniline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With phospho-tungstic acid; phosphotungstic acid; silica gel for 0.166667h; Doebner-Miller reaction; microwave irradiation;	90%
With hydrogenchloride; chloranil In butan-1-ol for 0.333333h; Heating;

: 67-64-1
acetone

: 552-89-6
2-nitro-benzaldehyde

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With 4 A molecular sieve; tin(ll) chloride; zinc(II) chloride In ethanol at 70℃;	90%
Stage #1: acetone; 2-nitro-benzaldehyde With zinc(II) chloride In methanol at 67℃; for 1h; Inert atmosphere; Molecular sieve; Stage #2: With tin(ll) chloride In methanol for 12h; Inert atmosphere; Molecular sieve;	90%
With Li*4.5 THF In methanol at 20 - 25℃; for 63h;	77%

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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.