Indeno[1,2,3-Cd]Pyrene 茚并[1,2,3-cd]芘

CAS 193-39-5 MFCD00152577

化学结构图

193-39-5
SMILES: c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45

化学属性

Mol. FormulaC22H12
Mol. Weight276.33
Flash Point-18 °C
Density0.7915
Stability对光敏感
Melting Point164 °C
Boiling Point536 °C at 760 mmHg

别名和识别编码

Chemical NameIndeno[1,2,3-Cd]Pyrene
CAS Number193-39-5
Synonym Indeno[1,2,3-cd]pyrene {LY} Indeno[1,2,3-cd]pyrene {} {LY} Indeno[1,2,3-cd]pyrene {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indeno[1,2,3-cd]pyrene
MDL NumberMFCD00152577
Beilstein Registry Number1879312
EC Number203-806-2
Chemical Name Translation茚并[1,2,3-cd]芘
Wiswesser Line NotationL E6 C5666 B6 3ABC VJ
LabNetwork Molecule IDLN01298869
PubChem Substance ID9131
InChIInChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
Canonical SMILESC12=C3C(C4=C2C=CC=C4)=CC5=CC=CC6=CC=C(C3=C56)C=C1
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分类

  • Mutagenesis Research Chemicals
  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 11ring; 12ring; 13ring; 14ring; 15ring; 17ring; 19ring; 21ring; 1fragment
  • {SNA} All PAH Standards, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Aromatics, Chemical Class,
  • {SNA} Additional Standards, All PAH Standards, Alpha Sort, Analytical Standards, Aromatics, Chemical Class, Chromatography, E-L, Environmental Standards, Hydrocarbons, Neats and Solutions, Organic Pollutant Standards, PAHs, Polycyclic Aromatic Hydrocarbon (PAH) Standards, Volatiles/ Semivolatiles, solutions, 分析/色谱

产品应用

  • 校准仪器和装置;评价方法;工作标准;质量保证/质量控制;其他。

相关文献及参考

  • Rice, J.E. et al.: J. Org. Chem., 51, 2428 (1986); Smith, C.J. et al.: Food Clin. Toxicol., 38, 637 (2000); Panalaks, T.: J. Environ. Sci. Health. Part B Pest. Food Cont. Agric. Wastes, B11, 299 (1976
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: IV/8A Title: Enthalpies

安全信息

GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P331 Do NOT induce vomiting.. 不要催吐。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
WGK Germany2
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Safety Statements
  • S25 Avoid contact with eyes 避免眼睛接触;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐:立即求医并出示该容器或标签;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Hazard Codes F,Xn,N F,Xn,N,T
Risk Statements
  • R11 Highly flammable 非常易燃
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性:吸入,皮肤接触和吞食都会产生十分严重的不可逆危险
  • R45 May cause cancer 可能致癌
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
  • R46 May cause inheritable genetic damage 可能引起遗传基因损害
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
  • R51/53
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
  • R60 May impair fertility 可能降低生殖能力
  • R38 Irritating to skin 刺激皮肤
  • R50/53
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R20 Harmful by inhalation 吸入有害
Packing GroupIII
Hazard Class6.1(b)
Storage condition 2-8°C, sealed storage, away from moisture and light {LY} 2-8°C, sealed storage, away from moisture and light APPROX 4°C {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moistu
UN Number 2811
RTECSNK9300000
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 40 mg/kg/20D-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,1761,1986

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 20750 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 71,539,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4150 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 71,539,1983

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   50NNAZ "Polynuclear Aromatic

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 50 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 371,123,1996

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3 ug/plate/48H
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,141,1979

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 100 ug/L
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 17,149,1980

其他信息

  • 图谱信息:茚并(1,2,3-CD)比(193-39-5)核磁图( 1 HNMR) 茚并(1,2,3-CD)比(193-39-5)核磁图( 13 CNMR)
  • MOL 文件:193-39-5.mol
  • 用途一:本品在工业上无生产和使用价值,一般只作为生产过程中形成的副产物随废气排放。校准仪器和装置;评价方法;工作标准;质量保证/质量控制;其他。
  • 有淡绿色荧光。不溶于水,表面活性剂可增加其水中溶解度,在橄榄油中的溶解度为0.6mg/2ml。
  • 外观性质:出轻质石油中析出黄色片状或针状结晶,有淡绿色荧光。不溶于水,表面活性剂可增加其水中溶解度,在橄榄油中的溶解度为0.6mg/2ml。 熔点:162.5~164℃
  • Sigma Aldrich:193-39-5(sigmaaldrich)

系列性分类


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