2-Nitronaphthalene 2-硝基萘

CAS 581-89-5 MFCD00004055

化学结构图

581-89-5
SMILES: O=[N+]([O-])c1ccc2ccccc2c1

化学属性

Mol. FormulaC10H7NO2
Mol. Weight173.17
Melting Point65-73 °C
Solubility不溶于水,溶于乙醇、乙醚等。

别名和识别编码

Chemical Name2-Nitronaphthalene
CAS Number581-89-5
Alfabeta NameNITRONAPHTHALENE 2-
MDL NumberMFCD00004055
PubChem Substance ID11392
EC Number209-474-5
Beilstein Registry Number2046354
Synonym 2-Nitronaphthalene {LY} 2-Nitronaphthalene 2-Nitronaphthalene (purity) 2-Nitronaphthalene,85%,tech. 2-Nitronaphthalin 2-nitro-naphthalen 2-nitronaphtalene 2-硝基萘 60548, 2-Nitronaphthalene (purity) Naphthalene, 2-nitro- beta-Nitronaphthalene {} {LY} 2-Nitronaphthalene {} {} {LY} 2-Nitronaphthalene {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitronaphthalene {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-硝基萘
Wiswesser Line NotationL66J CNW
InChIInChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
LabNetwork Molecule IDLN00171130
Canonical SMILESO=[N+](C1=CC=C2C=CC=CC2=C1)[O-]
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分类

  • 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; 1fragment
  • {SA} All PAH Standards, Alphabetic, Analytical Standards, Analytical/Chromatography, Application CRMs, CRMs, Certified Reference Materials (CRMs), Chromatography,

相关文献及参考

  • Beil. 5 ,IV,1675
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaq

安全信息

Warnings IRRITANT 危化品目录(2015) 危险化学品
GHS Symbol
WGK Germany3
Hazard Codes T,N
Hazard statements
  • H228 Flammable solid 易燃固体
  • H350 May cause cancer 可能致癌
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
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
RTECSQJ9760000
Precautionary statements
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
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;
  • 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);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Risk Statements
  • R51/53
  • R45 May cause cancer 可能致癌
UN Number 2538
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Primate - monkey
DOSE/DURATION           : 340 gm/kg/5Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   61,79,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 2400 mg/kg/34/W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   XPHCI* U.S. Public Health Service, Current Intelligence Bulletin. (National
   Institute for Occupational Safety and Health, 5600 Fishers Lane, Rockville,
   MD 20857)  Volume(issue)/page/year: 17DEC1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 62,911,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4400 mg/kg
TOXIC EFFECTS :
   Liver - other changes
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,428,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2650 mg/kg
TOXIC EFFECTS :
   Liver - other changes
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,428,1969

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 mg/L
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: 62,873,1979

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 60 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 125 mg/kg
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: 62,911,1979

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 1 pph
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: 62,901,1979

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 80 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 393,23,1997

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,239,1987

其他信息

  • 外观性质:无色结晶。
  • HazardClass:4.1
  • 图谱信息:2-硝基萘(581-89-5)红外图谱(IR2) 2-硝基萘(581-89-5)核磁图( 1 HNMR) 2-硝基萘(581-89-5)质谱(MS) 2-硝基萘(581-89-5)核磁图( 13 CNMR) 2-硝基萘(581-89-5)红外图谱(IR1)
  • RTECS号:QJ9760000
  • PackingGroup:III
  • MOL 文件:581-89-5.mol

系列性分类


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