5-Methylchrysene 5-甲基-1,2-苯并菲

CAS 3697-24-3 MFCD00215919

化学结构图

3697-24-3
SMILES: Cc1cc2ccccc2c2ccc3ccccc3c12

化学属性

Mol. FormulaC19H14
Mol. Weight242.32
Melting Point118.3 °C
Boiling Point465.14 °C at 760 mmHg

别名和识别编码

Chemical Name5-Methylchrysene
CAS Number3697-24-3
Synonym 5-Methylchrysene {LY} 5-Methylchrysene {} {LY} 5-Methylchrysene {} {} {LY} 5-Methylchrysene {} {} {} {LY} 5-Methylchrysene {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylchrysene
MDL NumberMFCD00215919
PubChem Substance ID19427
Beilstein Registry Number2048519
Chemical Name Translation5-甲基-1,2-苯并菲
Wiswesser Line NotationL E6 B666J C1
LabNetwork Molecule IDLN01299870
InChIInChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
Canonical SMILESCC1=C2C3=CC=CC=C3C=CC2=C4C=CC=CC4=C1
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分类

  • {SNA} All PAH Standards, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, CRMs, Chromatography, Environmental Standards, M, META - METH, PAHs, Volatiles/ Semi
  • Mutagenesis Research Chemicals
  • Aroma
  • {SNA} Additional Standards, All PAH Standards, Analytical Standards, CRMs, Chromatography, Environmental Standards, IRMM Standards, Organic Pollutant Standards, PAHs, Pharmacopeia & Metrological Institutes Standards, Polycyclic Aromatic Hydrocarbon (PAH) Standards, Volatiles/ Semivolatiles, neat, 分析/色谱

产品应用

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相关文献及参考

  • Amin, S., et al.: Cancer Res., 45, 6406 (1985),
  • Blaha, L., et al.: Toxicol. Sci., 65, 43 (2002),
  • Brack, W., et al.: Environ. Sci. Technol., 37, 3062 (2003),
  • 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.

安全信息

Storage condition 储存温度2-8°C
GHS Symbol
Precautionary statements
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P308+P313
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
Hazard statements
  • H350 May cause cancer 可能致癌
WGK Germany3
Signal word Danger
Safety Statements
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Hazard Codes Xn,N
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R22 Harmful if swallowed 吞咽有害
  • R50/53
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   45,6406,1985

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   3,606,1943

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 132 mg/kg/11W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   53,1121,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 20 mg/kg/20W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   CCSUDL Carcinogenesis--A Comprehensive Survey.  (Raven Press, 118

RTECSGC1575000
TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 467 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 4,843,1983

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 21 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            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 15,2613,1994

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3 ug/plate
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,673,1986

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