benzo[h]quinoline

CAS No. 230-27-3

Formula: C13H9N
Basic Info

Formula
C13H9N
Molecular Weight
179.217
Exact Mass
179.073
LogP
3.388
PSA
12.89
Synonyms

7,8-Bnzoquinoline

Benzo[h]quinoline

α-Naphthoquinoline

7,8-Benoz(h)quinoline

benzo<h>quinoline

4-Azaphenanthrene

benzoquinoline

7,8-Benzoquinoline

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Properties
Appearance & Physical State
brown solid
Density
1.187 g/cm3
Boiling Point
338ºC (719 mmHg)
Melting Point
48-50ºC
Flash Point
113ºC
Safety Info
RTECS
DK1432000
Safety Statements
S22-S24/25
WGK Germany
3
Risk Statements
R36/37/38
HS Code
2933990090
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1805.
Temperature Control
Method
temperature ramp
Comments
30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Reference
Rostad, C.E.Pereira, W.E.Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interestJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 6, 328-334.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-52
Retention index
1755.
Temperature Control
Method
temperature ramp
Comments
He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; T<sub>end</sub>: 320. C
Reference
Beernaert, H.Gas Chromatographic Analysis of Polyclylic Aromatic HydrocarbonsJ. Chromatogr.1979, 173, 1, 109-118.
Lee's RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-52
Retention index
301.85
Temperature Control
Method
temperature ramp
Comments
2. K/min; Column length: 12. m; Column diameter: 0.25 mm; T<sub>start</sub>: 50. C; T<sub>end</sub>: 270. C
Reference
Hasegawa, K.Usami, S.Higashide, A.Analysis of amino polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocyclesNippon Kagaku Kaishi1990, 7, 777-788.
Lee's RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
302.57
Temperature Control
Method
temperature ramp
Comments
H2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; T<sub>start</sub>: 50. C; T<sub>end</sub>: 300. C
Reference
Blanco, C.G.Blanco, J.Bermejo, J.Guillen, M.D.Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phasesJ. Chromatogr.1989, 465, 3, 378-385.
Lee's RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
301.50
Temperature Control
Method
temperature ramp
Comments
30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Reference
Rostad, C.E.Pereira, W.E.Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interestJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 6, 328-334.
Toxicity
MUTATION DATA
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Type of Test
Mutation in microorganisms
Exposure Route
Species Observed
Dose/Duration
50 ug/plate
Toxic Effects
--
Reference
Polynuclear Aromatic Hydrocarbons, International Symposium, 7th, 1982, Cooke, M., and A.J. Dennis, eds., Columbus, OH, Battelle Press, 1983 Volume(issue)/page/year: 7,73,1983

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