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CAS No.: | 206-44-0 |
---|---|
Name: | Fluoranthene |
Article Data: | 113 |
Molecular Structure: | |
Formula: | C16H10 |
Molecular Weight: | 202.255 |
Synonyms: | 1,2-(1,8-Naphthylene)benzene;Benzene, 1,2-(1,8-naphthalenediyl)-;Benzo[jk]fluorene;ClusterCarbon;Idryl;NSC 6803; |
EINECS: | 205-912-4 |
Density: | 1.249 g/cm3 |
Melting Point: | 109 °C |
Boiling Point: | 374.998 °C at 760 mmHg |
Flash Point: | 168.375 °C |
Solubility: | insoluble in water |
Appearance: | Light yellow fine crystals |
Hazard Symbols: | Xn, N, F, T |
Risk Codes: | 22-36/37/38-40-67-65-50/53-38-11-39/23/24/25-23/24/25 |
Safety: | 37/39-26-36/37-24/25-23-62-61-60-45-16-7 |
Transport Information: | UN 1593 6.1/PG 3 |
PSA: | 0.00000 |
LogP: | 4.48720 |
fluoranthene
Conditions | Yield |
---|---|
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); 1-Adamantanecarboxylic acid In N,N-dimethyl acetamide at 110℃; for 24h; Inert atmosphere; | 98% |
1-(2-fluorophenyl)naphthalene
fluoranthene
Conditions | Yield |
---|---|
With dimethyldimesitylsilane In chlorobenzene at 110℃; for 8h; Friedel Crafts reaction; Inert atmosphere; | 93% |
With aluminum oxide at 150℃; for 60h; Inert atmosphere; | 79% |
1-(2-trifluormethanesulfonyloxyphenyl)naphthalene
fluoranthene
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; lithium chloride; bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 140℃; for 6h; | 90% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; lithium chloride; bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 140℃; for 6h; other aryl bromides; other MOM phenyl ethers; | 90% |
6b,7,10,10a-tetrahydrofluoranthene-6b,10a-diol
fluoranthene
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 75℃; for 6.5h; | 90% |
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium (0); 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine In N,N-dimethyl-formamide at 155℃; for 48h; Suzuki coupling, Heck coupling; | 87% |
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium (0); 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine In N,N-dimethyl-formamide at 155℃; for 48h; Suzuki coupling, Heck coupling; | 87% |
3,9-Diethynyl-phenanthrene
A
fluoranthene
B
cyclopenta[c,d]pyrene
C
acephenanthrylene
Conditions | Yield |
---|---|
at 1000℃; under 0.01 Torr; Mechanism; var. of temp.; other polyclic aromatic hydrocarbon with ethynyl subst.; | A 2% B 1% C 4% D 8% E 85% |
Conditions | Yield |
---|---|
at 1000℃; under 0.01 Torr; Further byproducts given; | A 2% B 1% C 8% D 85% |
1-phenyl-2-iodonaphthalene
fluoranthene
Conditions | Yield |
---|---|
With palladium diacetate; cesium pivalate; bis-diphenylphosphinomethane In N,N-dimethyl-formamide at 110℃; for 24h; | 81% |
With palladium diacetate; potassium pivalate; DavePhos In N,N-dimethyl-formamide at 100℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube; | 70% |
With palladium diacetate; cesium pivalate; bis-diphenylphosphinomethane In N,N-dimethyl-formamide at 110℃; for 12h; Inert atmosphere; |
2-(2-bromo-acenaphthylen-yl)-3,6-dihydro-2H-pyran
fluoranthene
Conditions | Yield |
---|---|
With tetrabutyl-ammonium chloride; palladium diacetate; caesium carbonate; triphenylphosphine In N,N-dimethyl-formamide at 85 - 90℃; for 1.5h; Inert atmosphere; | 80% |
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal No Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 355.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.
1. Introduction of Fluoranthene
Fluoranthene, with the CAS No. 206-44-0, has the IUPAC Name of Pentyl nitrite, and it is one kind of light yellow fine crystals. This chemical is insoluble in water, and it belongs to the Product Categories which include Color Former & Related Compounds ; Functional Materials; Sensitizer ; E-LAlphabetic; FA - FLEnvironmental Standards; Alpha Sort; F; PAHs; Volatiles/ Semivolatiles. Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as Fluoranthene, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds.
2. Properties of Fluoranthene
Fluoranthene has the following properties: (1)Melting Point: 109 °C; (2)Flash Point: 8.9 °C; (3)Boiling Point: 105.1 °C at 760 mmHg; (4)Vapour Pressure: 34.9 mmHg at 25°C; (5)Enthalpy of Vaporization: 32.98 kJ/mol; (6)Refractive Index: 1.0996.
3. Structure Descriptors of Fluoranthene
(1). InChI: InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
(2). InChIKey: InChIKey=GVEPBJHOBDJJJI-UHFFFAOYSA-N
(3). Smiles: c12c3c4ccccc4c1cccc2ccc3
4. Toxicity of Fluoranthene
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00205, | |
rabbit | LD50 | skin | 3180mg/kg (3180mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 2gm/kg (2000mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |