Results for:
PubChem ID: 7047

Quinoline

Mass-Spectra

Compound Details

Synonymous names
benzazabenzene
Benzopyridine
Chinoleine
benzazine
Chinolin
Chinoline
Leucoline
Quinolin
QUINOLINE
SMWDFEZZVXVKRB-UHFFFAOYSA-N
Leucol
Leukol
1-Azanaphthalene
Quinoline, analytical standard
3-Benzopyridine
8-quinolinyl
AC1L1NVV
Benzo(b)pyridine
Benzo[b]pyridine
1-Benzazine
1-Benzine
C9H7N
ACMC-20aimg
Benzopyridine (VAN)
SCHEMBL2774
2,3-Benzopyridine
Chinolin [Czech]
Quinoline, >=97%
Quinoline, >=99%
CHEMBL14474
NSC3396
UN2656
CCRIS 547
HSDB 121
Q0011
Q0085
Quinoline > 90% grade
BIDD:ER0666
RP19862
SCHEMBL483852
STR01546
B 500
B-500
C06413
E66400VT9R
HMS2271F08
ZINC896153
BBL011390
DTXSID1021798
HE019500
HE355080
HE411917
LS-1919
NSC 3396
NSC-3396
SBB060379
SCHEMBL1193639
SCHEMBL3311562
SCHEMBL8571823
STL146493
UN 2656
USAF EK-218
ZB015074
CHEBI:17362
DSSTox_CID_1798
M-7415
UNII-E66400VT9R
AJ-24226
AK-98665
AN-42551
ANW-75062
CJ-04486
DSSTox_GSID_21798
KB-60280
Quinoline, reagent grade, 96%
Quinoline, reagent grade, 98%
SC-47591
ST2413766
WLN: T66 BNJ
BB_SC-6766
BDBM50047015
DSSTox_RID_76332
MFCD00006736
Quinoline (8CI,9CI)
ZINC00896153
AI3-01241
DB-057248
NCIOpen2_007906
RTC-063626
ST51046569
TC-063626
AKOS000119139
Epitope ID:140096
J-524185
ZINC328579131
FEMA No. 3470
FT-0602839
FT-0633705
MLS002303065
SMR000112309
91-22-5
I14-93758
Quinoline, for synthesis, 96.0%
Tox21_201478
Tox21_300068
F0001-2218
Z1258578262
CAS-91-22-5
Quinoline, 97% 100g
Quinoline, JIS special grade, >=95.0%
MCULE-2825394284
NCGC00091190-01
NCGC00091190-02
NCGC00091190-03
NCGC00091190-04
NCGC00254119-01
NCGC00259029-01
Quinoline, SAJ first grade, >=94.0%
EINECS 202-051-6
20214-07-7
Quinoline [UN2656] [Poison]
530-64-3 (hydrochloride)
5730-EP2269978A2
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MolPort-000-883-590
Quinoline [UN2656] [Poison]
AE-641/01960007
InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7
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
Molweight129.162
LogP2.13
Atoms17
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical Classificationpyridines benzenoids nitrogen compounds

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo