Results for:
PubChem ID: 7047

Quinoline

Mass-Spectra

Compound Details

Synonymous names
QUINOLINE
91-22-5
1-Benzazine
1-Azanaphthalene
Chinolin
Chinoleine
Chinoline
Quinolin
Leucol
Leukol
Benzopyridine
2,3-Benzopyridine
Benzo(b)pyridine
Benzo[b]pyridine
USAF EK-218
1-Benzine
Quinoline-3-D
Quinoline-4-D
Quinoline-5-D
Quinoline-6-D
Quinoline-7-D
FEMA No. 3470
Quinoline-8-D
B 500
CCRIS 547
NSC 3396
HSDB 121
DTXSID1021798
CHEBI:17362
Quinoline (8CI,9CI)
AI3-01241
B-500
EINECS 202-051-6
UNII-E66400VT9R
E66400VT9R
NSC-3396
CHEMBL14474
DTXCID401798
EC 202-051-6
15793-82-5
15793-83-6
15793-84-7
15793-85-8
15793-86-9
15793-87-0
QUINOLINE (IARC)
QUINOLINE [IARC]
Chinolin [Czech]
Benzopyridine (VAN)
Quinoline-
CAS-91-22-5
UN2656
hydroquinoline
4-quinolinyl
1-Benzazene
Quinoline [UN2656] [Poison]
1-AZANAPTHALENE
Quinoline, >=97%
Quinoline, >=99%
QUINOLINE [MI]
QUINOLINE [FHFI]
QUINOLINE [HSDB]
Quinoline > 90% grade
Epitope ID:140096
BENZO (B) PYRIDINE
SCHEMBL2774
NCIOpen2_007906
WLN: T66 BNJ
MLS002303065
BIDD:ER0666
Quinoline, analytical standard
SCHEMBL483852
SCHEMBL1193639
SCHEMBL3311562
SCHEMBL8571823
Quinoline, reagent grade, 96%
Quinoline, reagent grade, 98%
FEMA 3470
NSC3396
Quinoline, redistilled from glass
DTXSID301317900
HMS2271F08
Quinoline [UN2656] [Poison]
Quinoline, for synthesis, 96.0%
AMY38997
STR01546
Tox21_201478
Tox21_300068
BBL011390
BDBM50047015
MFCD00006736
MFCD31699982
MFCD31699983
MFCD31699984
MFCD31699985
MFCD31699986
MFCD31699987
s6369
STL146493
Quinoline 500 microg/mL in Methanol
AKOS000119139
MCULE-2825394284
UN 2656
NCGC00091190-01
NCGC00091190-02
NCGC00091190-03
NCGC00091190-04
NCGC00254119-01
NCGC00259029-01
Quinoline, SAJ first grade, >=94.0%
SMR000112309
SY246281
SY246329
SY246330
SY246331
SY246332
SY246333
Quinoline, JIS special grade, >=95.0%
DB-057248
NS00010850
Q0011
Q0085
EN300-19120
C06413
D97671
AE-641/01960007
Q408384
J-524185
F0001-2218
Z104472852
InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7
31177-31-8
54978-41-5
Microorganism:

Yes

IUPAC namequinoline
SMILESC1=CC=C2C(=C1)C=CC=N2
InchiInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
FormulaC9H7N
PubChem ID7047
Molweight129.16
LogP2
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds nitrogen compounds benzenoids
CHEBI-ID17362
Supernatural-IDSN0349869

mVOC Specific Details

Boiling Point
DegreeReference
237.7 °C peer reviewed
Volatilization
The Henry's Law constant for quinoline is estimated as 1.7X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.06 mm Hg(1), and water solubility, 6,110 mg/l(2). This Henry's Law constant indicates that quinoline is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 25 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 186 days(SRC). Quinoline is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Smith JH et al; Environmental pathways of selected chemicals in freshwater systems. Part II. Athens, GA: USEPA-600/7-78-074 (1978) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The measured log Koc for quinoline is 2.84(1). The adsorption coefficients of quinoline to Ca-montmorillonite and creek sediments are 7.3 and 10.9, respectively(2). A Koc of 43 was reported using low-organic-carbon subsurface materials(11). According to a classification scheme(3), these Koc values suggest that quinoline is expected to have very high mobility in soil. Quinoline was found to be relatively mobile using a Danish sandy soil(10). Intensity of quinoline added to a natural sand aquifer on the Canadian Air Force Base Borden, Ontario, Canada via a field study using coal tar creosote were found to increase after 278 days, about 25 m from the croesote source, added at an initial concn of 10.1 g/kg creosote(4). Aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(7,8), suggesting that mobility may be much lower in some soils(SRC). The pKa of quinoline is 4.90(5), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(6); therefore, adsorption increases with increasing soil acidity(11). Sorption onto airborne particulates has been observed(9). A Kd value of 0.83 was measured using a Danish sandy soil from Lundgaard, Jutland, characterized by 2.47% organic carbon content, 80.2% sand, 13.2% silt, 4.8% clay, and a pH of 5.8(10).
Literature: (1) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (2) Reinhold KA et al; Adsorption of energy-related organic pollutants: A literature review USEPA-600/3-79-086 (1979) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Fowler MG et al; Org Geochem 22: 641-9 (1994) (5) Weast TC et al; CRC Handbook of Chemistry and Physics. 66th ed. Boca Raton, FL: CRC Press (1985) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals; Boethling RS, Mackay D, eds, Baca Raton, FL: Lewis Publ (2000) (7) Bollag JM et al; J Agric Food Chem 26: 1302-6 (1978) (8) Adrian P et al; Chemosphere 18: 1599-1609 (1989) (9) Dong MW et al; Environ Sci Technol 11: 612-8 (1977) (10) Thomsen AB et al; Environ Sci Technol 33: 2891-8 (1999) (11) Zachara JM et al; Environ Sci Technol 20: 620-7 (1986)
Vapor Pressure
PressureReference
0.06 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU252601
Massbank Spectrum MSBNK-Athens_Univ-AU252602
Massbank Spectrum MSBNK-Athens_Univ-AU252603
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Massbank Spectrum MSBNK-BAFG-CSL23111027351
Massbank Spectrum MSBNK-BAFG-CSL23111027352
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000486
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001634
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003494
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007402
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008861
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Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010830
Massbank Spectrum MSBNK-Keio_Univ-KO003952
Massbank Spectrum MSBNK-Keio_Univ-KO003953
Massbank Spectrum MSBNK-Keio_Univ-KO003954
Massbank Spectrum MSBNK-Keio_Univ-KO003955
Massbank Spectrum MSBNK-Keio_Univ-KO003956
Massbank Spectrum MSBNK-UFZ-WANA411701AD6CPH
Massbank Spectrum MSBNK-UFZ-WANA411703B085PH
Massbank Spectrum MSBNK-UFZ-WANA411705070APH
Massbank Spectrum MSBNK-UFZ-WANA411711C9CFPH
Massbank Spectrum MSBNK-UFZ-WANA411713D9F1PH
Massbank Spectrum MSBNK-UFZ-WANA4117155BE0PH
Massbank Spectrum MSBNK-UFZ-WANA4117213166PH
Massbank Spectrum MSBNK-UFZ-WANA4117237762PH
Massbank Spectrum MSBNK-UFZ-WANA411725AF82PH

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno