Ethyl 3-nitrobenzoate 乙基

CAS 618-98-4 MFCD00014702

化学结构图

618-98-4
SMILES: CCOC(=O)c1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC9H9NO4
Mol. Weight195.17
Melting Point41 °C
TSCAYes
Boiling Point297-298 °C at 760 mmHg
Flash Point297-298°C

别名和识别编码

Chemical NameEthyl 3-nitrobenzoate
CAS Number618-98-4
Alfabeta NameETHYLNITROBENZOATE 3-
MDL NumberMFCD00014702
Synonym Ethyl 3-nitrobenzoate {LY} Ethyl 3-nitrobenzoate {} {LY} Ethyl 3-nitrobenzoate {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethy
EC Number210-574-6
Merck Number14,3832
Beilstein Registry Number1912880
Chemical Name Translation乙基
InChIKeyMKBIJCPQTPFQKQ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00159780
PubChem Substance ID69261
InChIInChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
Canonical SMILESCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 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: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.

安全信息

Warnings IRRITANT
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；
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Acros Organics:ethyl 3-nitrobenzoate(618-98-4)
  • Alfa Aesar:3-硝基苯甲酸乙酯,98% Ethyl 3-nitrobenzoate, 98+%(618-98-4)
  • 间硝基苯甲酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 BTB09265FA 间硝基苯甲酸乙酯 ethyl 3-nitrobenzoate 100 GR 2250元 2010/06/21 BTB09265EA 间硝基苯甲酸乙酯 ethyl 3-nitrobenzoate 10 GR 525元 2010/06/21 BTB09265EB 间硝基苯甲酸乙酯 ethyl 3-nitrobenzoate 25 GR 600元
  • MOL 文件:618-98-4.mol
  • 下游产品:双咪苯脲
  • 图谱信息:间硝基苯甲酸乙酯(618-98-4)质谱(MS) 间硝基苯甲酸乙酯(618-98-4)核磁图( 13 CNMR) 间硝基苯甲酸乙酯(618-98-4)红外图谱(IR2) 间硝基苯甲酸乙酯(618-98-4)红外图谱(IR1) 间硝基苯甲酸乙酯(618-98-4)Raman光谱 间硝基苯甲酸乙酯(618-98-4)核磁图( 1 HNMR)
  • Sigma Aldrich:618-98-4(sigmaaldrich)

系列性分类