1,8-Dinitropyrene 1,8-二硝基芘

CAS 42397-65-9 MFCD00010495

化学结构图

42397-65-9
SMILES: [O-][N+](=O)C1=CC=C2C=CC3=CC=C(C4=CC=C1C2=C34)[N+]([O-])=O

化学属性

Mol. FormulaC16H8N2O4
Mol. Weight292

别名和识别编码

Chemical Name1,8-Dinitropyrene
Synonym {uni_hamburg} 1,8-Dinitropyrene 1,8-二硝基芘 1,8-dinitro-pyrene
MDL NumberMFCD00010495
PubChem Substance ID24857147
Chemical Name Translation1,8-二硝基芘
Wiswesser Line NotationL666 B6 2AB PJ DNW KNW
CAS Number42397-65-9
Beilstein Registry Number3413165
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 12ring; 14ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • 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

WGK Germany3
GHS Symbol
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
RTECSUR2456000
Signal word Warning
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes Xn
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S22 Do not breathe dust 不要吸入粉尘；
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 23 mg/kg/4W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Skin and Appendages - tumors
REFERENCE :
   DTESD7 52 Vanderbilt Ave., New York, NY 10017)  V.1-15, 1977-87.
   Discontinued 52 Vanderbilt Ave., New York, NY 10017)  V.1-    1977-
   Volume

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16 mg/kg/10W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,583,1984

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 160 ug/kg/10W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   25,239,1985

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 35071 ug/kg/4W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic 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: 12,1187,1991

{hazard_co

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 20 umol/L
REFERENCE :
   PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
   Press, 428 E. Preston St., Baltimore, MD 21202)  V.1-    1954-
   Volume(issue)/page/year: 25,110,1984

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 2900 ng/L
REFERENCE :
   PCBRD2 Progress in Clinical and Biological Research.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1975- Volume(issue)/page/year:
   109,249,1982

{h

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 15 umol/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   24,121,1984

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 1250 mg/L
REFERENCE :
   PCBRD2 Progress in Clinical and Biological Research.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1975- Volume(issue)/page/year:
   109,249,1982

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Rodent - rabbit Cells - not otherwise specified
DOSE/DURATION           : 25 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物

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