ChemicalBook CAS DataBase List 91-63-4

91-63-4

Name	Quinaldine
CAS	91-63-4
EINECS(EC#)	202-085-1
Molecular Formula	C10H9N
MDL Number	MFCD00006756
Molecular Weight	143.19
MOL File	91-63-4.mol

Chemical Properties

Appearance	yellowish-brown liquid
Melting point	-2 °C
Boiling point	248 °C
density	1.058 g/mL at 25 °C(lit.)
vapor pressure	<0.1 hPa (20 °C)
refractive index	n20/D 1.612(lit.)
Fp	175 °F
storage temp.	Store below +30°C.
solubility	chloroform: soluble(lit.)
form	Crystalline Powder
pka	5.83(at 20℃)
color	White to slightly yellow
PH	6.9 (H2O, 20℃)(saturated aqueous solution)
Stability:	Stable, but may be light sensitive. Combustible. Incompatible with strong oxidizing agents.
Water Solubility	PRACTICALLY INSOLUBLE
Sensitive	Light Sensitive
Merck	14,8047
BRN	110309
Henry's Law Constant	1.4×10¹ mol/(m³Pa) at 25℃, Ebert et al. (2023)
Major Application	forensics and toxicology pharmaceutical (small molecule)
InChI	1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
InChIKey	SMUQFGGVLNAIOZ-UHFFFAOYSA-N
SMILES	Cc1ccc2ccccc2n1
LogP	2.59
CAS DataBase Reference	91-63-4(CAS DataBase Reference)
NIST Chemistry Reference	Quinoline, 2-methyl-(91-63-4)
EPA Substance Registry System	91-63-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08
Signal word	Warning
Hazard statements	H302+H312-H315-H319-H341-H412
Precautionary statements	P273-P280-P301+P312-P302+P352+P312-P305+P351+P338-P308+P313
Hazard Codes	Xn
Risk Statements	R21/22:Harmful in contact with skin and if swallowed . R68:Possible risk of irreversible effects. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S36:Wear suitable protective clothing . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
RIDADR	NA 1993 / PGIII
WGK Germany	3
RTECS	UZ9625000
F	8-23
TSCA	Yes
REACH Registrations	Active
HS Code	29334990
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Oral Aquatic Chronic 3 Eye Irrit. 2 Muta. 2 Skin Irrit. 2
Toxicity	LD50 orally in rats: 1.23 g/kg (Smyth) less more

Raw materials And Preparation Products

Hazard Information

General Description

A colorless oily liquid darkening to red-brown on exposure to air. Flash point 175°F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.

Reactivity Profile

QUINALDINE(91-63-4) neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. Keep tightly closed and protected from light .

Air & Water Reactions

Slightly soluble in water.

Hazard

Strong irritant to mucous membranes.

Fire Hazard

This compound is probably combustible.

Chemical Properties

Quinaldine or 2-methylquinoline is an organic compound with the formula CH3C9H6N. It is one of the methyl derivative of a heterocyclic compound quinoline. It is bioactive and is used in the preparation of various dyes. It is a colorless oil but commercial samples can appear colored.

Uses

It is an anaesthetic used in fish transportation. Used in preparation of oil-soluble dyes. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.

Uses

Quinaldine is an anaesthetic used in fish transportation. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.

Definition

ChEBI: A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.

Production Methods

High-temperature coal tar contains an average of 0.2% quinaldine. It is recovered from the quinoline base mixture by rectification and hydration. Quinaldine can be synthesized by the Skraup method from aniline and crotonaldehyde with sulfuric acid in the presence of a dehydrogenating agent.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 13, p. 1279, 1976 DOI: 10.1002/jhet.5570130626
The Journal of Organic Chemistry, 52, p. 3847, 1987 DOI: 10.1021/jo00226a023
Synthesis, p. 324, 1996 DOI: 10.1055/s-1996-4221

Purification Methods

Dry it with Na2SO4 or by refluxing with BaO, then fractionally distil it under reduced pressure and redistil it from zinc dust. Purify it further by conversion to its phosphate (m 220o) or picrate (m 192o) from which after recrystallisation, the free base is regenerated. [Packer et al. J Am Chem Soc 80 905 1958.] Its ZnCl2 complex can be used for the same purpose. [Beilstein 20 III/IV 3454, 20 V 375.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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