ジベンゾ[a,h]アントラセン(53-70-3)

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ジベンゾ[a,h]アントラセン 製品概要
化学名:ジベンゾ[a,h]アントラセン
英語化学名:Dibenz[a,h]anthracene
别名:DIBENZ[A,H]ANTHRACENE;NAPHTHO[1',2':2,3]PHENANTHRENE;1,2:5,6-DIBENZANTHRACENE;1.2,5.6-DIBENZANTHRACENE;1,2,5,6-DBA;1,2,5,6-Dibenzanthraceen;1,2,5,6-dibenzoanthracene;1,2,7,8-dibenzanthracene
CAS番号:53-70-3
分子式:C22H14
分子量:278.35
EINECS:200-181-8
カテゴリ情報:OLED;Aromatics;Mutagenesis Research Chemicals;PAH;Benzo(a)pyrene and other PAH;Alpha Sort;D;DAlphabetic;DIA - DIC;Volatiles/ Semivolatiles
Mol File:53-70-3.mol
ジベンゾ[a,h]アントラセン
ジベンゾ[a,h]アントラセン 物理性質
融点 262-265 °C(lit.)
沸点 524 °C(lit.)
比重(密度) 1.282 g/cm3
蒸気圧2.78 x 10-12 mmHg at 25 °C (de Kruif, 1980)
屈折率 1.8120 (estimate)
闪点 -18 °C
貯蔵温度 room temp
溶解性Soluble in petroleum ether, benzene, toluene, xylene, and oils (Windholz et al., 1983).
Light yellow to Yellow
水溶解度 2.2ug/L(25 ºC)
Merck 14,3007
BRN 1912416
Henry's Law Constant1.70 x 10-6 atm?m3/mol at 25 °C (approximate - calculated from water solubility and vapor pressure)
安定性:Stable. Combustible. Incompatible with strong oxidizing agents.
InChIKeyLHRCREOYAASXPZ-UHFFFAOYSA-N
CAS データベース53-70-3(CAS DataBase Reference)
IARC2A (Vol. Sup 7, 92) 2010
EPAの化学物質情報Dibenz[a,h]anthracene (53-70-3)
安全性情報
主な危険性 T,N,F
Rフレーズ 45-50/53-67-65-38-11-52/53-36/37/38
Sフレーズ 53-45-60-61-62-26
RIDADR UN 3077 9/PG 3
WGK Germany 3
RTECS 番号HN2625000
HSコード 2902.90.9000
国連危険物分類 6.1(b)
容器等級 III
有毒物質データの53-70-3(Hazardous Substances Data)
毒性LD50 (intravenous) for rats is 10 mg/kg (Patnaik, 1992).
MSDS Information
ProviderLanguage
SigmaAldrich English
ジベンゾ[a,h]アントラセン Usage And Synthesis
外観わずかにうすい黄色~緑黄色, 結晶
溶解性水、メタノール又はエタノール(99.5)にほとんど溶けない。
用途発癌物質研究用。
用途クレオソート油中に含有され、クレオソート油は家庭用木材防腐剤及び木材防虫剤に使用される
用途環境(大気)分析用標準品。
使用上の注意取り扱う場合は眼鏡、手袋、マスク等の保護具を着用して下さい。
説明1, 2:5, 6-DIBENZANTHRACENE is a crystalline aromatic hydrocarbon. It is a component of coal tars, shale oils, and soots (IARC, 1985) and has been detected in gasoline engine exhaust, coke oven emissions, cigarette smoke, charcoal broiled meats, vegetation near heavily traveled roads, and surface water and soils near hazardous waste sites. It is a kind of carcinogenic compound, and thus being mainly used for the research purpose. For example, in biological research, it is a mutagen used to induce tumorigenesis.
化学的特性Dibenz(a,h)anthracene is a colorless, crystal- line solid. PAHs are compounds containing multiple benzene rings and are also called polynuclear aromatic hydrocarbons.
化学的特性white to light yellow crystalline solid
化学的特性Dibenz[a,h]anthracene is a white crystalline solid. It is insoluble in water, slightly soluble in alcohol, and soluble in ether. This compound is incompatible with strong oxidizers.
物理的性質Colorless to pale yellow, monoclinic or orthorhombic crystals which with a faint, pleasant odor.
使用There is no report on the common use of dibenz[a,h]anthracene and its commercial production.
使用Dibenz[a,h]anthracene is a polycyclic aromatic hydrocarbon (PAH) and a known carcinogen. Dibenz[a,h]anthracene has produced positive results in bacterial DNA damage and mutagenicity assays and in mammalian cell DNA damage, mutagenicity and cell transformation assays.
定義ChEBI: Dibenz[a,h]anthracene is an ortho-fused polycyclic arene. It has a role as a mutagen.
調製方法There is no commercial production or known use of this compound. It has been isolated from the coal tar pitch and is found in coke over effluents. It has been detected in urban atmospheres and occurs in tobacco smoke. Dibenz [a,h]anthracene is present as a minor component of the total PAH content in the environment. Human exposure occurs through smoking, inhaling of polluted air, and by ingesting food and water containing combustion products.
一般的な説明White crystals or pale yellow solid. Sublimes.
空気と水の反応Insoluble in water.
反応プロフィール1,2:5,6-DIBENZANTHRACENE is incompatible with strong oxidizing agents. Is oxidized by chromic acid and by osmium tetraoxide .
健康ハザードThe toxicity of dibenz[a,h]anthracene is onthe same order as that of benz[a]anthracene.A lethal dose in mice by intravenous routeis 10 mg/kg. There is no report on its oraltoxicity. It is a mutagen. Its carcinogenicityin animals is well established, causing cancersin the lungs, liver, kidney, and skin.
火災危険Flash point data for 1,2:5,6-DIBENZANTHRACENE are not available; however, 1,2:5,6-DIBENZANTHRACENE is probably combustible.
安全性プロファイルConfirmed carcinogen with experimental carcinogenic, tumorigenic, and neoplastigenic data. Poison by intravenous route. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
職業ばく露Dibenz(a,h)anthracene is a chemical substance formed during the incomplete burning of fossil fuel, garbage, or any organic matter and is found in smoke in general; it condenses on dust particles and is distributed into water and soil and on crops. DB(a,h)A is a PAH and is also a component of coal tar pitch, which is used in industry as a binder for electrodes, and creosote is used to preserve wood. PAHs are also found in limited amounts in bituminous materials and asphalt used in industry and for paving.
応急処置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.
発がん性Based on no human data and sufficient data from animal assays, IRIS classifies dibenz [a,h]anthracene as a B2 carcinogen, a probable human carcinogen, and the IARC classifies dibenz[a,h]anthracene as a 2A carcinogen. Dibenz[a,h]anthracene produced carcinomas in mice following oral or dermal administration and injection site tumors in several species following s.c. or i.m. injection. It is also a tumor initiator.
SourceConstituent in coal tar, cigarette smoke (4 μg/1,000 cigarettes), and exhaust condensate of gasoline engine (96 μg/g) (quoted, Verschueren, 1983). Also detected in asphalt fumes at an average concentration of 12.25 ng/m3 (Wang et al., 2001).
Based on laboratory analysis of 7 coal tar samples, dibenz[a,h]anthracene was not detected (EPRI, 1990). Lehmann et al. (1984) reported dibenz[a,h]anthracene concentrations of 0.03 mg/g and 1,300 mg/kg in a commercial anthracene oil and high-temperature coal tar, respectively. Identified in a high-temperature coal tar pitch used in roofing operations at concentrations ranging from 317 TO 1,680 mg/kg (Malaiyandi et al., 1982).
Nine commercially available creosote samples contained dibenz[a,h]anthracene at concentrations ranging from 1 to 16 mg/kg (Kohler et al., 2000).
Under atmospheric conditions, a low rank coal (0.5–1 mm particle size) from Spain was burned in a fluidized bed reactor at seven different temperatures (50 °C increments) beginning at 650 °C. The combustion experiment was also conducted at different amounts of excess oxygen (5 to 40%) and different flow rates (700 to 1,100 L/h). At 20% excess oxygen and a flow rate of 860 L/h, the amount of dibenz[a,h]anthracene emitted ranged from 32.0 ng/kg at 900 °C to 260.9 ng/kg at 750 °C. The greatest amount of PAHs emitted were observed at 750 °C (Mastral et al., 1999).
環境運命予測Biological. In activated sludge, <0.1% of the applied dibenz[a,h]anthracene mineralized to carbon dioxide after 5 d (Freitag et al., 1985). Based on aerobic soil die away test data, the estimated half-lives ranged from 361 to 940 d (Coover and Sims, 1987).
Ye et al. (1996) investigated the ability of Sphingomonas paucimobilis strain U.S. EPA 505 (a soil bacterium capable of using fluoranthene as a sole source of carbon and energy) to degrade 4, 5, and 6-ringed aromatic hydrocarbons (10 ppm). After 16 h of incubation using a resting cell suspension, only 7.8% of dibenz[a,h]anthracene had degraded. It was suggested that degradation occurred via ring cleavage resulting in the formation of polar metabolites and carbon dioxide.
Soil. The reported half-lives for dibenz[a,h]anthracene in a Kidman sandy loam and McLaurin sandy loam are 361 and 420 d, respectively (Park et al., 1990).
Photolytic. A carbon dioxide yield of 45.3% was achieved when dibenz[a,h]anthracene adsorbed on silica gel was irradiated with light (λ >290 nm) for 17 h (Freitag et al., 1985). The photooxidation half-life in the atmosphere was estimated to range from 0.428 to 4.28 h (Atkinson, 1987).
Chemical/Physical. Dibenz[a,h]anthracene will not hydrolyze because it does not contain a hydrolyzable functional group (Kollig, 1993).
At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities were 69, 12, 2.1, and 0.39 mg/g, respectively (Dobbs and Cohen, 1980).
貯蔵Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. See the entry on “Coal TarPitch Volatiles.” A regulated, marked area should be established where this chemical is handled, used, or stored incompliance with OSHA Standard 1910.1045
輸送方法UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required. UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required.
純化方法The yellow-green colour (due to other pentacyclic impurities) is removed from it by crystallising from *benzene or by selective oxidation with lead tetraacetate in acetic acid [Moriconi et al. J Am Chem Soc 82 3441 1960]. [Beilstein 5 IV 2722.]
Toxicity evaluationDibenz[a,h]anthracene is largely associated with particulate matters, soils, and sediments. Its presence in places distant from primary sources indicates that it is reasonably stable in the atmosphere and capable of long-distance transport.
Dibenz[a,h]anthracene can be adsorbed very strongly if released to the soil. However, no leaching to the groundwater or hydrolization or evaporation from soils surface is expected.With half-lives of 18 and 21 days, it is generally subjected to biodegradation in soil systems. Volatilization of dibenz[a,h] anthracene from wet soil surfaces is not expected to be an important fate process based on an estimated Henry’s Law constant of 7.3×10-8 atm-m3 mol-1. A biodegradation halflife of 750 days at 20°C after incubation with unacclimated soil microcosms indicates that biodegradation is not an important environmental fate process in soil.
Dibenz[a,h]anthracene released to the atmosphere will likely be associated with particulate matter and may be subjected to moderately long-range transport, depending mainly on the particle size distribution and climatic conditions, which will determine the rates of wet and dry deposition. The estimated vapor pressure of 9.5×1010 mm Hg at 25°C of dibenz[a,h] anthracene indicates that this compound will exist solely in the particulate phase in the ambient atmosphere if released into air. Its presence in areas remote from primary sources demonstrates the potential for this long-range transport as well as dibenz[a,h]anthracene’s considerable stability in the air. Dibenz[a,h]anthracene absorbs solar radiation strongly, suggesting that it may be susceptible to direct photolysis in the environment. The estimated vapor phase half-life in the atmosphere is 1 day as a result of reaction with photochemically produced hydroxyl radicals.
不和合性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, and epoxides.
廃棄物の処理See the entry on Coal Tar Pitch Volatiles. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/ mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal.
参考文献https://pubchem.ncbi.nlm.nih.gov/compound/Dibenz_a_h_anthracene#section=Top
Heidelberger, Charles, and H. B. Jones. "The Distribution of Radioactivity in the Mouse Following Administration of Dibenzanthracene Labeled in the 9 and 10 Positions with Carbon Fourteen." Cancer1.2(2010):252.
https://rais.ornl.gov/tox/profiles/dibenz_a_h_anthracene_c_V1.html
Tags:53-70-3