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CAS No.: | 91-22-5 |
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Name: | Quinoline |
Article Data: | 497 |
Cas Database | |
Molecular Structure: | |
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Formula: | C9H7N |
Molecular Weight: | 129.161 |
Synonyms: | 1-Azanaphthalene;1-Benzazine;B 500;Benzo[b]pyridine;Benzopyridine;Leucol;Leucoline;Leukol;NSC 3396;Quinolin; |
EINECS: | 202-051-6 |
Density: | 1.106 g/cm3 |
Melting Point: | -17--13 °C(lit.) |
Boiling Point: | 234.1 °C at 760 mmHg |
Flash Point: | 101.1 °C |
Solubility: | slightly soluble in water |
Appearance: | colourless to brown liquid |
Hazard Symbols: |
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Risk Codes: | 21/22-38-41-68-40-37/38 |
Safety: | 26-36/37/39-36-23 |
Transport Information: | UN 2656 6.1/PG 3 |
PSA: | 12.89000 |
LogP: | 2.23480 |
Quinoline was first extracted from coal tar in 1834 by Friedlieb Ferdinand Runge.
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
1. Introduction of Quinoline
Quinoline is also named as 1-Azanaphthalene ; 1-Benzazine ; 2,3-Benzopyridine ; AI3-01241 ; B-500 ; Benzo(b)pyridine ; Benzopyridine ; Benzopyridine (VAN) ; Chinoleine; Chinolin; Chinolin [Czech]; Chinoline; Leucol ; Leukol ; Quinolin ; USAF EK-218. Quinoline is colourless to brown liquid with a peculiar odor. It is soluble in water. Contact may irritate to skin, eyes, and mucous membranes. It may be toxic by ingestion. Quinoline is hygroscopic. It absorbs as much as 22% water. Quinoline is sensitive to light and moisture. Quinoline darkens on storage. It is a weak base. A potentially explosive reaction may occur with hydrogen peroxide. Quinoline reacts violently with dinitrogen tetraoxide. It also reacts violently with perchromates. It is incompatible with (linseed oil + thionyl chloride) and maleic anhydride. Quinoline is also incompatible with strong oxidizers and strong acids. Quinoline can be unpredictably violent. Quinoline dissolves sulfur, phosphorus and arsenic trioxide. Quinoline may attack some forms of plastics. It is a preparative hazard. Vapors are irritating to nose and throat and may cause headaches, dizziness, and nausea if inhaled. Ingestion causes irritation of mouth and stomach; vomiting may occur.
2. Properties of Quinoline
Molecular Weight: 129.16 g/mol
Melting Point: −17-−13 °C(lit.)
Boiling Point: 234.1 °C at 760 mmHg
Flash Point: 101.1 °C
Density: 1.093 g/mL at 25 °C
Water Solubility: slightly soluble
Index of Refraction: 1.642
Molar Refractivity: 42.18 cm3
Molar Volume: 116.7 cm3
Surface Tension: 46.6 dyne/cm
XLogP3: 2
H-Bond Acceptor: 1
Exact Mass: 129.057849
MonoIsotopic Mass: 129.057849
Topological Polar Surface Area: 12.9
Heavy Atom Count: 10
3. Structure Descriptors of Quinoline
Canonical SMILES: C1=CC=C2C(=C1)C=CC=N2
InChI: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
EINECS: 202-051-6
Product Categories: PYRIDINE; Intermediates; Organics; Quinolinecarboxylic Acids, etc.; Quinolines
4. Toxicity of Quinoline
1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
2. | eye-rbt 250 µg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
3. | mma-sat 1 µmol/plate ABCHA6 42,861,78 | |||
4. | dnd-esc 30 µmol/L | MUREAV Mutation Research. 89 (1981),95. | ||
5. | mma-ham:ovr 80 µmol/L | ENMUDM Environmental Mutagenesis. 4 (1982),395. | ||
6. | sce-ham:ovr 110 µg/L | ENMUDM Environmental Mutagenesis. 7 (1985),1. | ||
7. | orl-rat LD50:331 mg/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,848. | ||
8. | ipr-mus LDLo:64 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 2 (1950),190. | ||
9. | skn-rbt LD50:540 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
10. | scu-rbt LDLo:200 mg/kg | HBAMAK “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289. |