Methyl 4-chlorobenzoate 4-氯苯甲酸甲酯

CAS 1126-46-1 MFCD00000621

化学结构图

1126-46-1
SMILES: COC(=O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Melting Point42-44°C
Density1.382
Flash Point106°(222°F)
TSCAYes
Boiling Point136-137 °C at 10 mmHg

别名和识别编码

Chemical NameMethyl 4-chlorobenzoate
CAS Number1126-46-1
Alfabeta NameMETHYLCHLOROBENZOATE 4-
MDL NumberMFCD00000621
PubChem Substance ID14307
EC Number214-420-9
Beilstein Registry Number1564310
Reaxys-RN1564310
Merck Number2125
Synonym Methyl 4-chlorobenzoate {LY} Methyl 4-chlorobenzoate {} {LY} Methyl 4-chlorobenzoate {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methy
Chemical Name Translation4-氯苯甲酸甲酯
LabNetwork Molecule IDLN00005120
InChIInChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
Canonical SMILESO=C(OC)C1=CC=C(Cl)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beil. 9 ,340
  • FT-IR 2 (2), 2841:A / FT-IR 1 (2), 295:B / FT-NMR 1 (2), 1249:B / IR-Spectra (3), 1029:A / NMR-Reference 2 (2), 286:B / RegBook 1 (2), 1903:N / Structure Index 1 , 305:D:1 / Vapor Phase 3 , 1362:D
  • 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: 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; ch

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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

其他信息

  • TCI Shanghai:4-氯苯甲酸甲酯 Methyl 4-Chlorobenzoate,>;98.0%(GC)(1126-46-1)
  • MOL 文件:1126-46-1.mol
  • Sigma Aldrich:1126-46-1(sigmaaldrich)
  • 下游产品:1,2,3-苯并噻二唑-5-羧酸
  • Alfa Aesar:4-氯苯甲酸甲酯,99% Methyl 4-chlorobenzoate, 99%(1126-46-1)
  • 对氯苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1625 4-氯苯甲酸甲酯 Methyl 4-Chlorobenzoate 25G 230元 2010/05/25 A10109 4-氯苯甲酸甲酯, 99% Methyl 4-chlorobenzoate, 99% 25g 298元 2010/05/25 A10109 4-氯苯甲酸甲酯, 99% Methyl 4-chlorobenzoate, 99% 100g 888元

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters

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