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Substance Name: Quinoline
RN: 91-22-5
UNII: E66400VT9R
InChIKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N

Molecular Weight

  • 129.1613
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb

Names and Synonyms

Name of Substance

  • Quinoline

Synonyms

  • 1-Azanaphthalene
  • 1-Benzazine
  • 2,3-Benzopyridine
  • AI3-01241
  • B 500
  • B-500
  • Benzo(b)pyridine
  • Benzopyridine
  • Benzopyridine (VAN)
  • CCRIS 547
  • Chinoleine
  • Chinolin
  • Chinolin [Czech]
  • Chinoline
  • EC 202-051-6
  • EINECS 202-051-6
  • FEMA No. 3470
  • HSDB 121
  • Leucol
  • Leukol
  • NSC 3396
  • Quinolin
  • UNII-E66400VT9R
  • USAF EK-218

Systematic Name

  • Quinoline

Superlist Names

  • Quinoline
  • Quinoline [UN2656] [Poison]
  • UN2656

Registry Numbers

CAS Registry Number

  • 91-22-5

FDA UNII

  • E66400VT9R

Other Registry Number

  • 20214-07-7

Related Registry Number

  • 530-64-3 (hydrochloride)

System Generated Number

  • 0000091225

Structure Descriptors

InChI

1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

InChIKey

SMWDFEZZVXVKRB-UHFFFAOYSA-N

Smiles

c12c(cccc1)nccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rabbit LD50 skin 540uL/kg (0.54mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 oral 331mg/kg (331mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 848, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.48E+01 deg C   EXP
Boiling Point 237.1 deg C   EXP
pKa Dissociation Constant 4.9 (none) 20 EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 6110 mg/L 25 EXP
Vapor Pressure 0.06 mm Hg 25 EXP
Henry's Law Constant 1.67E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 24 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.