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93-19-6

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Basic Information
CAS No.: 93-19-6
Name: 2-ISOBUTYLQUINOLINE
Article Data: 25
Molecular Structure:
Molecular Structure of 93-19-6 (2-ISOBUTYLQUINOLINE)
Formula: C13H15 N
Molecular Weight: 185.269
Synonyms: Quinoline,2-isobutyl- (8CI); 2-Isobutylquinoline
Density: 1.012g/cm3
Boiling Point: 277.3°C at 760 mmHg
Flash Point: 111.1°C
Hazard Symbols:
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 12.89000
LogP: 3.43330
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Chemistry

Molecular Formula: C13H15N
Molar mass: 185.2649 g/mol
Nominal Mass: 185 Da 
Average Mass: 185.2649 Da 
Monoisotopic Mass: 185.120449 Da
EINECS: 202-227-2
Density: 1.012 g/cm3
Flash Point: 111.1 °C
Index of Refraction: 1.58
Boiling Point: 277.3 °C at 760 mmHg
Vapour Pressure: 0.0077 mmHg at 25 °C
Product categories of 2-Isobutylquinoline (CAS NO.93-19-6): Quinoline & Isoquinoline
Structure of 2-Isobutylquinoline (CAS NO.93-19-6):

XLogP3-AA: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1
IUPAC Name of 2-Isobutylquinoline (CAS NO.93-19-6): 2-(2-Methylpropyl)quinoline
Canonical SMILES: CC(C)CC1=NC2=CC=CC=C2C=C1
InChI: InChI=1S/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3 
InChIKey: FAQVGPWFQGGIPP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1020 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 14 (1976),307.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 2-Isobutylquinoline ,its cas register number is 93-19-6. It also can be called 2-(2-Methylpropyl)quinoline ; Quinoline, isobutyl- ; Quinoline, (2-methylpropyl)- and Isobutylquinoline .