Fluoranthene CAS 206-44-0
Introduction：Basic information about Fluoranthene CAS 206-44-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Fluoranthene Basic information
| Product Name: | Fluoranthene |
| Synonyms: | 1,2-(1,8-Naphthalene)benzene;1,2-(1,8-naphthalenediyl)-benzen;Fluoranthen;1,2-Benzacenapthene;1,8-[1,2]Benzenonaphthalene;Fluoranthene,93%;Benzo[jk]flurene;Fluoranthene, 98% 25GR |
| CAS: | 206-44-0 |
| MF: | C16H10 |
| MW: | 202.25 |
| EINECS: | 205-912-4 |
| Product Categories: | Arenes;Building Blocks;Chemical Synthesis;Organic Building Blocks;PAH;Color Former & Related Compounds;Functional Materials;Sensitizer;E-LAlphabetic;FA - FLEnvironmental Standards;Alpha Sort;F;PAHs;Volatiles/ Semivolatiles |
| Mol File: | 206-44-0.mol |
Fluoranthene Chemical Properties
| Melting point | 105-110 °C (lit.) |
| Boiling point | 384 °C (lit.) |
| density | 1.252 |
| refractive index | 1.0996 |
| Fp | -18 °C |
| storage temp. | APPROX 4°C |
| solubility | Chloroform (Soluble), DMSO (Sparingly), Ethyl Acetate (Sparingly), Methanol (Spa |
| form | Crystalline Powder, Crystals and/or Chunks |
| color | Yellow or yellow-green to gray-beige |
| Water Solubility | insoluble |
| BRN | 1907918 |
| Henry's Law Constant | 5.53, 8.59, 13.0, 19.3, and 26.8(x 10-6 atm?m3/mol) at 4.1, 11.0, 18.0, 25.0, and 31.0 °C, respectively (Bamford et al.,1998) |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| 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 |
| InChIKey | GVEPBJHOBDJJJI-UHFFFAOYSA-N |
| SMILES | c1ccc-2c(c1)-c3cccc4cccc-2c34 |
| CAS DataBase Reference | 206-44-0(CAS DataBase Reference) |
| IARC | 3 (Vol. Sup 7, 92) 2010 |
| NIST Chemistry Reference | Fluoranthene(206-44-0) |
| EPA Substance Registry System | Fluoranthene (206-44-0) |
Safety Information
| Hazard Codes | Xn,N,F,T |
| Risk Statements | 22-36/37/38-40-67-65-50/53-38-11-39/23/24/25-23/24/25-52/53-50 |
| Safety Statements | 37/39-26-36/37-24/25-23-62-61-60-45-16-7 |
| RIDADR | UN 1593 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | LL4025000 |
| TSCA | TSCA listed |
| HS Code | 29029090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 206-44-0(Hazardous Substances Data) |
| Toxicity | LC50 (24-h) for Daphnia magna 1,300 mg/L (LeBlanc, 1980), Cyprinodon variegatus >560 ppm(HAcute oral LD50 for rats 2,000 mg/kg (quoted, RTECS, 1985). |
| Description | Fluoranthene is a polycyclic hydrocarbon anda colorless crystalline solid. Molecular weight=202.26;Boiling point=about 375C; Freezing/Meltingpoint=111C. Hazard Identification (based on NFPA-704M Rating System): Health 0, Flammability 1, Reactivity 0.Virtually insoluble in water. |
| Chemical Properties | Fluoranthene is a polycyclic hydrocarbon anda colorless crystalline solid. |
| Uses | Fluoranthene is a component of polynucleararomatic hydrocarbons, also knownas polycyclic aromatic hydrocarbons, and isusually bound to small particulate matterpresent in urban air, industrial and naturalcombustion emissions, and cigarette smoke. |
| Uses | Fluoranthene can be used as a starting material in the synthesis of:
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| Definition | ChEBI: An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 72, p. 4786, 1950 DOI: 10.1021/ja01166a124 Tetrahedron Letters, 33, p. 1675, 1992 DOI: 10.1016/S0040-4039(00)91703-9 |
| General Description | Light yellow fine crystals. |
| Air & Water Reactions | Insoluble in water. |
| Reactivity Profile | 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. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. |
| Hazard | Questionable carcinogen. |
| Health Hazard | ACUTE/CHRONIC HAZARDS: When heated to decomposition Fluoranthene emits acrid smoke and fumes. |
| Health Hazard | Fluoranthene exhibited mild oral and dermaltoxicity in animals. The acute toxicity is lowerthan that of phenanthrene. An oral LD50 valuein rats is reported as 2000 mg/kg. It may causeskin tumor at the site of application. However,any carcinogenic action from this compoundin animals is unknown.. |
| Fire Hazard | Flash point data for Fluoranthene are not available. Fluoranthene is probably combustible. |
| Safety Profile | Poison by intravenous route. Moderately toxic by ingestion and skin contact. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Potential Exposure | Fluoranthene, a PAH, is producedfrom the pyrolytic processing of organic raw materials,such as coal and petroleum at high temperatures. It is alsoknown to occur naturally as a product of plant biosynthesis.Fluoranthene is ubiquitous in the environment and has beendetected in United States air; in foreign and domestic drink ing waters and in food-stuffs. It is also contained in ciga rette smoke. Individuals living in areas which are heavilyindustrialized; and in which large amounts of fossil fuelsare burned, would be expected to have greatest exposurefrom ambient sources of fluoranthene. In addition, certainoccupations e.g., coke oven workers, steelworkers, roofers,automobile mechanics) would also be expected to have elevated levels of exposure relative to the general popula tion. Exposure to fluoranthene will be considerablyincreased among tobacco smokers or those who areexposed to smokers in closed environments (i.e., indoors). |
| First aid | If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit. |
| Source | Detected in 8 diesel fuels at concentrations ranging from 0.060 to 13 mg/L with a meanvalue of 0.113 mg/L (Westerholm and Li, 1994); in a distilled water-soluble fraction of usedmotor oil at a concentration range of 1.3 to 1.5 μg/L (Chen et al., 1994). Lee et al. (1992) reportedconcentration ranges 1.50-125 mg/L and ND-0.5 μg/L in diesel fuel and the correspondingaqueous phase (distilled water), respectively (Lee et al., 1992). Schauer et al. (1999) reportedfluoranthene in a diesel-powered medium-duty truck exhaust at an emission rate of 53.0 μg/km.Identified in Kuwait and South Louisiana crude oils at concentrations of 2.9 and 5.0 ppm,respectively (Pancirov and Brown, 1975). California Phase II reformulated gasoline contained fluoranthene at a concentration of 1.15g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and withoutcatalytic converters were approximately 4.25 and 160 μg/km, respectively (Schauer et al., 2002). Detected in groundwater beneath a former coal gasification plant in Seattle, WA at aconcentration of 50 μg/L (ASTR, 1995). The concentration of fluoranthene in coal tar and themaximum concentration reported in groundwater at a mid-Atlantic coal tar site were 6,500 and0.015 mg/L, respectively (Mackay and Gschwend, 2001). Based on laboratory analysis of 7 coaltar samples, fluoranthene concentrations ranged from 1,500 to 13,000 ppm (EPRI, 1990).Lehmann et al. (1984) reported fluoranthene concentrations of 64.7 mg/g in a commercialanthracene oil and 17,400 to 30,900 mg/kg in three high-temperature coal tars. Identified in hightemperaturecoal tar pitches used in roofing operations at concentrations ranging from 5,200 to38,800 mg/kg (Arrendale and Rogers, 1981). Fluoranthene was detected in soot generated from underventilated combustion of natural gasdoped with toluene (3 mole %) (Tolocka and Miller, 1995). Fluoranthene was also detected in 9commercially available creosote samples at concentrations ranging from 55,000 to 120,000 mg/kg(Kohler et al., 2000). Detected in asphalt fumes at an average concentration of 20.48 ng/m3 (Wang et al., 2001).An impurity in commercial available pyrene (Marciniak, 2002). Schauer et al. (2001) measured organic compound emission rates for volatile organiccompounds, gas-phase semi-volatile organic compounds, and particle-phase organic compoundsfrom the residential (fireplace) combustion of pine, oak, and eucalyptus. The respective gas-phaseand particle-phase emission rates of fluoranthene were 3.05 and 3.95 mg/kg of pine burned, 3.61and 1.20 mg/kg of oak burned, and 3.75 and 0.509 mg/kg of eucalyptus burned. |
| Solubility in organics | In benzene expressed as mole fraction: 0.2174 at 44.8 °C, 0.3011 at 56.0 °C, 0.3826 at 64.4 °C,0.5331 at 77.2 °C (shake flask-gravimetric, McLaughlin and Zainal, 1959) In millimole fraction at 25 °C: 14.76 in n-hexane, 18.70 in n-heptane, 22.60 in n-octane, 26.42 inn-nonane, 30.15 in n-decane, 50.46 in n-hexadecane, 18.07 in cyclohexane, 21.79 in methylcyclohexane,30.11 in cyclooctane, 11.62 in 2,2,4-trimethylpentane, 24.82 in tert-butyl-cyclohexane,51.77 in dibutyl ether, 47.55 in methyl tert-butyl ether, 2.67 in methanol, 5.44 inethanol, 6.70 in 1-propanol, 4.75 in 2-propanol, 9.96 in 1-butanol, 7.02 in 2-butanol, 4.95 in 2-methyl-1-propanol, 14.46 in 1-pentanol, 19.86 1-hexanol, 25.24 in 1-heptanol, 31.25 in 1-octanol, 10.21 in 2-pentanol, 8.62 in 3-methyl-1-butanol, 9.70 in 2-methyl-2-butanol, 17.72 incyclopentanol, 17.82 in 2-ethyl-1-hexanol, 11.72 in 2-methyl-1-pentanol, 0.948 in 4-methyl-2-pentanol (Hernández and Acree, 1998) |
| storage | Color Code—Green: General storage may be used.Prior to working with this chemical you should be trainedon its proper handling and storage. Store in tightly closedcontainers in a cool, well-ventilated area away from oxidizers. Where possible, automatically transfer material fromother storage containers to process containers. |
| Shipping | UN1325 Flammable solids, organic, n.o.s.,Hazard Class: 4.1; Labels: 4.1-Flammable solid.UN3077Environmentally hazardous substances, solid, n.o.s., Hazardclass: 9; Labels: 9-Miscellaneous hazardous material,Technical Name Required. |
| Purification Methods | Fluoranthene (benzo[j,k]fluorene) M 202.3, m 110-111o, b 384o/760mm. Purify it by chromatography of CCl4 solutions on alumina, with *benzene as eluent. Crystallise it from EtOH, MeOH or *benzene. Also purify it by zone melting. [Gorman et al. J Am Chem Soc 107 4404 1985, Beilstein 5 I 344, 5 IV 2463.] |
| Incompatibilities | Incompatible with oxidizers (chlorates,nitrates, peroxides, permanganates, perchlorates, chlorine,bromine, fluorine, etc.); contact may cause fires or explo sions. Keep away from alkaline materials, strong bases,strong acids, oxoacids, epoxides. Compound can react exo thermically with bases and with diazo compounds.Substitution at the benzene nucleus occurs by halogenation(acid catalyst), nitration, sulfonation, and the Friedel Crafts reaction. |
| Toxics Screening Level | A chronic initial threshold screening level (ITSL) for fluoranthene is 140 μg/m3 with annual averaging time. |
| Waste Disposal | Dissolve or mix the materialwith a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. Consult with environmental regulatory agenciesfor guidance on acceptable disposal practices. Generators ofwaste containing this contaminant (≥100 kg/mo) must con form with EPA regulations governing storage, transportation,treatment, and waste disposal. |
Fluoranthene Preparation Products And Raw materials
| Raw materials | COAL TAR-->ASPHALTUM-->ANTHRACENE OIL-->Light solvent naphtha |
| Preparation Products | 8-Bromofluoranthene-->3-BROMOFLUORANTHENE-->1-broMo-9h-fluoren-9-one-->1-FLUORENECARBOXYLIC ACID |
