Benzoic acid, 4-​isothiocyanato-​, methyl ester 4-甲氧基羰基苯基异硫氰酸酯

CAS 3662-78-0 MFCD00041099

化学结构图

3662-78-0
SMILES: COC(=O)c1ccc(N=C=S)cc1

化学属性

Mol. FormulaC9H7NO2S
Mol. Weight193
Melting Point46-48°
TSCANo

别名和识别编码

Chemical NameBenzoic acid, 4-​isothiocyanato-​, methyl ester
CAS Number3662-78-0
Alfabeta NameMETHOXYCARBONYLPHENYLISOTHIOCYANATE 4-
MDL NumberMFCD00041099
Synonym Methyl 4-isothiocyanatobenzoate 4-甲氧基羰酰基苯基硫氰酸酯 4-METHOXYCARBONYLPHENYL ISOTHIOCYANATE, 98+% 4-Methoxycarbonylphenyl isothiocyanate 4-ISOTHIOCYANATO-BENZOIC ACID METHYL ESTER 4-isothiocyanato-benzoic acid methyl ester 4-METHOXYCARBONYLPHENYL ISOTHIOCYANATE 4-甲氧基羰酰基苯基硫代异氰酸酯, 98+% 4-Methoxycarbonylphenyl isothiocyanate 98%
EC Number000-000-0
Beilstein Registry Number2100504
Chemical Name Translation4-甲氧基羰基苯基异硫氰酸酯
InChIKeyWIZODHILGBTPPA-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115694
PubChem Substance ID138002
InChIInChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
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分类

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

相关文献及参考

  • 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 KEEP COLD, LACHRYMATOR, TOXIC, CORROSIVE
Safety Statements
  • 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；
  • S36/37/39 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）；
Packing GroupIII
UN Number UN2923 2811
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
  • 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
  • R34 Causes burns 会导致灼伤
Storage condition Moisture Sensitive Keep Cold
Hazard Codes T
Hazard Class6.1

其他信息

  • 4-甲氧基羰酰基苯基硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L10474 4-甲氧基羰酰基苯基硫代异氰酸酯, 98+% 4-(Methoxycarbonyl)phenyl isothiocyanate, 98+% 5g 2240元 2010/05/25 L10474 4-甲氧基羰酰基苯基硫代异氰酸酯, 98+% 4-(Methoxycarbonyl)phenyl isothiocyanate, 98+% 1g 627元
  • MOL 文件:3662-78-0.mol
  • Alfa Aesar:4-甲氧基羰酰基苯基硫代异氰酸酯,98+% 4-(Methoxycarbonyl)phenyl isothiocyanate, 98+%(3662-78-0)
  • 敏感性:Moisture Sensitive

系列性分类

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