1-Nitropyrene 1-硝基芘

CAS 5522-43-0 MFCD00004138

化学结构图

5522-43-0
SMILES: O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34

化学属性

Mol. FormulaC16H9NO2
Mol. Weight247
Melting Point153-155
TSCAT
Density1.422
Appearance 黄色针状结晶。

别名和识别编码

Chemical Name1-Nitropyrene
CAS Number5522-43-0
Alfabeta NameNITROPYRENE 1-
MDL NumberMFCD00004138
PubChem Substance ID21694
EC Number226-868-2
Beilstein Registry Number1882811
Reaxys-RN1882811
Synonym 1-NITROPYRENE 1-NITROPYRENE (100UG/ML IN TOLUENE) 1-NITROPYRENE 98+% 1-Nitropyrene 1-nitro-pyrene 1-nitropyrene 1-硝基比 1-硝基芘 23264, 1-Nitropyrene (purity) 3-Nitropyrene 3-nitropyrene LABOTEST-BB LT00894548 NITROPYRENE Nitropyrene, Mono-, Di-, Tri- Tetra, isomers Pyrene, 1-nitro- {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg}
Chemical Name Translation1-硝基芘
Wiswesser Line NotationL666 B6 2AB PJ DNW
LabNetwork Molecule IDLN00116595
InChIInChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
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分类

  • {SNA} Carcinogens, Cell Biology, 癌症研究
  • {SNA} Carcinogens, 癌症研究, 细胞生物学
  • {SNA} 癌症研究, 细胞生物学, 致癌物
  • {SNA} Cancer Research, Carcinogens
  • All PAH Standards, Alphabetic, Analytical Standards, Analytical/Chromatography, Application CRMs, CRMs, Certified Reference Materials (CRMs), Chromatography, Environmental CRM, Environmental Standards, N, NA - NI, Nitro-PAH, PAHs, Volatiles/ Semivolatiles, neat
  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 12ring; 14ring; 1fragment
  • {SNA} Cancer Research, Carcinogen

相关文献及参考

  • Beil. 5 ,694
  • Corp MSDS 1 (2), 2595:D / FT-IR 2 (2), 2350:D / FT-IR 1 (1), 1392:A / RegBook 1 (1), 1609:I / Sax 6 , 2040 / Sigma FT-IR 1 (2), 796:C / Structure Index 1 , 251:A:1
  • 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

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes Xn Xn,Xi
Hazard statements
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H351 Suspected of causing cancer 怀疑致癌
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
RTECSUR2480000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P305+P351+P338
  • P308+P313
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P318
  • P319
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • 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);
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition 2-8°C
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1780 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
   Press, 428 E

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 396 mg/kg/16W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   48,4256,1988

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 198 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - 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:
   44,1158,1984

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 99 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - 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:
   44,1158,1984

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 131,101,1984

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rabbit Lung
DOSE/DURATION           : 2500 ng/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 175,259,1986

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Human Mammary gland
DOSE/DURATION           : 500 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Pre

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 161,109,1986

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 in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 4 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 322,233,1994

TYPE OF TEST            : DNA adduct
TEST SYSTEM

TYPE OF TEST            :

TYPE OF TEST

其他信息

  • Acros Organics:1-硝基芘 1-Nitropyrene, 99%(5522-43-0)
  • MOL 文件:5522-43-0.mol
  • TSCA:T
  • TCI Shanghai:1-硝基芘 1-Nitropyrene,>;98.0%(GC)(5522-43-0)
  • 1-硝基芘价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0419 1-硝基芘 1-Nitropyrene 5G 1180元 2014/06/02 N0419 1-硝基芘 1-Nitropyrene 25G 3500元
  • Sigma Aldrich:5522-43-0(sigmaaldrich)

系列性分类


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