4-Nitrophenetole 对硝基乙氧基苯

CAS 100-29-8 MFCD00007330

化学结构图

100-29-8
SMILES: CCOc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC8H9NO3
Mol. Weight167.16
Boiling Point112°C/3mmHg(lit.)
Melting Point57.0 to 61.0 deg-C
Solubility不溶于水,微溶于醇,易溶于热醇、醚。

别名和识别编码

Chemical Name4-Nitrophenetole
MDL NumberMFCD00007330
CAS Number100-29-8
Synonym 1-ethoxy-4-nitro-benzen p-Nitroethoxybenzene p-Nitrophenetol 4-Nitroethoxy-benzene p-Nitrophenetol Benzene,1-ethoxy-4-nitro 对硝基苯乙醚 Ethyl p-nitrophenyl ether p-nitro-phenetol 4-硝基苯乙醚 4-NITROPHENETOLE Benzene, 1-ethoxy-4-nitro- Phenetole, p-nitro- 1-ethoxy-4-nitro-benzene 1-Ethoxy-4-nitrobenzol 4-nitrophenetole 对硝基乙氧基苯 Phenetole, p-nitro- 1-ETHOXY-4-NITROBENZENE P-NITROPHENETOLE 4-nitro-phenetole 4-NITROPHENETOL ethylp-nitrophenylether -ethoxy-4-nitro-benzen 4-Nitrophenylethylether p-Ethoxynitrobenzene p-Ethoxynitrobenzene p-Nitrophenetole 1-Ethoxy-4-nitrobenzene 4-Ethoxynitrobenzene 对乙氧基硝基苯 p-Nitrophenylethylether p-nitophenetole Ethyl p-nitrophenyl ether 1-乙氧基-4-硝基苯 1-Ethoxy-4-nitrobenzene; p-Ethoxynitrobenzene PARA-NITROPHENETOLE p-Nitrophenetole
Beilstein Registry Number6(4)1283
EC Number202-837-9
Reaxys-RN972473
PubChem Substance ID87573584
Chemical Name Translation对硝基乙氧基苯
Wiswesser Line NotationWNR DO2
LabNetwork Molecule IDLN01743333
InChIInChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany2
RTECSDA0600000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
Hazard Codes Xi
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
   Blood - hemorrhage
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534365

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2100 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Lungs, Thorax, or Respiration - respiratory depression
   Blood - other changes
REFERENCE :
   AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene.  (Berlin, Ger.)
   V.1-18, 1930-61.  For publisher information, see IAEHDW.
   Volume(issue)/page/year: 17,217,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >16 gm/kg
TOXIC EFFECTS :
   Liver - fatty liver degeneration
   Kidney, Ureter, Bladder - other changes
REFERENCE :
   AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene.  (Berlin, Ger.)
   V.1-18, 1930-61.  For publisher information, see IAEHDW.
   Volume(issue)/page/year: 17,217,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >7940 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - food intake (animal)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearing

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 mg/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 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: 3,167,1982

其他信息

  • 用途一:用作药物和染料的中间体。在医药上用于合成非那西丁等。
  • 灭火剂:二氧化碳、泡沫、砂土、雾状水。
  • 图谱信息:4-硝基苯乙醚(100-29-8)核磁图( 13 CNMR) 4-硝基苯乙醚(100-29-8)核磁图( 1 HNMR) 4-硝基苯乙醚(100-29-8)红外图谱(IR1) 4-硝基苯乙醚(100-29-8)红外图谱(IR3) 4-硝基苯乙醚(100-29-8)红外图谱(IR2) 4-硝基苯乙醚(100-29-8)质谱(MS)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸食品添加剂分开存放
  • MSDS 信息:4-硝基苯乙醚(100-29-8).msds
  • TCI Shanghai:对硝基苯乙醚 4-Nitrophenetole,>;98.0%(GC)(100-29-8)
  • 4-硝基苯乙醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0216 4-硝基苯乙醚 4-Nitrophenetole 25G 475元 2010/06/21 320302500 4-硝基苯乙醚 4-Nitrophenetole 98% 250 GR 473元 2010/06/21 320300050 4-硝基苯乙醚 4-Nitrophenetole 98% 5 GR 286元
  • 毒性分级:低毒
  • Sigma Aldrich:100-29-8(sigmaaldrich)
  • MOL 文件:100-29-8.mol
  • 可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物烟雾
  • Hazard Note:Irritant
  • Acros Organics:4-Nitrophenetole, 98%(100-29-8)
  • 下游产品:对乙氧基苯胺
  • 外观性质:淡黄色柱状结晶。
  • 上游原料:碳酸钾 --> 溴乙烷 --> 4-硝基氯苯 --> 4-硝基苯酚
  • 方法一:用对硝基氯苯与乙醇在氢氧化钠参与下醚化制得。将对硝基氯苯和乙醇加到反应釜内,升温至82℃,滴加乙醇氢氧化钠溶液,在85-88℃反应3h。反应液碱度降到0.9%以下,降温至75℃,用浓盐酸将pH值调至6.7-7。静置分层后取油层,加热水洗去硝基酚钠,油层进行减压精馏,取214-218℃(2.66-5.32kpa)馏分即为本产品。
  • 急性毒性:口服-大鼠 LD50: >; 16000 毫克/公斤
  • 类别:有毒物品

系列性分类


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