3-(Methoxycarbonyl)Phenyl Isothiocyanate 3-甲氧基羰基苯硫代异氰酸酯
CAS 3125-66-4 MFCD00041080
化学结构图
SMILES: COC(=O)c1cccc(N=C=S)c1
化学属性
| Mol. Formula | C9H7NO2S |
|---|---|
| Mol. Weight | 193 |
| Boiling Point | 105°/0.45mm |
| Density | 1.230 |
| Refractive index | 1.6240 |
| TSCA | No |
| Flash Point | 105-106°C/0.45m |
别名和识别编码
| Chemical Name | 3-(Methoxycarbonyl)Phenyl Isothiocyanate |
|---|---|
| CAS Number | 3125-66-4 |
| Alfabeta Name | METHOXYCARBONYLPHENYLISOTHIOCYANATE 3- |
| MDL Number | MFCD00041080 |
| Synonym | 3-ISOTHIOCYANATO-BENZOIC ACID METHYL ESTER 3-METHOXYCARBONYLPHENYL ISOTHIOCYANATE 3-Methoxycarbonylphenyl isothiocyanate 3-isothiocyanato-benzoic acid methyl ester 3-甲氧基羰基异硫氰酸苯酯 3-甲氧基羰基苯硫代异氰酸酯 Methyl 3-isothiocyanatobenzoate |
| EC Number | 000-000-0 |
| Beilstein Registry Number | 2100452 |
| Chemical Name Translation | 3-甲氧基羰基苯硫代异氰酸酯 |
| InChIKey | NQXFZEJJHPUMMF-UHFFFAOYSA-N |
| PubChem Substance ID | 137833 |
| LabNetwork Molecule ID | LN00111321 |
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3 |
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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
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
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- 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
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- 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）；
GHS Symbol
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
其他信息
- 3-甲氧基羰基异硫氰酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L10476 3-甲氧基羰基苯硫代异氰酸酯, 99% 3-(Methoxycarbonyl)phenyl isothiocyanate, 99% 5g 2450元 2010/05/25 L10476 3-甲氧基羰基苯硫代异氰酸酯, 99% 3-(Methoxycarbonyl)phenyl isothiocyanate, 99% 1g 636元
- Alfa Aesar:3-甲氧基羰基苯硫代异氰酸酯,99% 3-(Methoxycarbonyl)phenyl isothiocyanate, 99%(3125-66-4)
- 敏感性:Moisture Sensitive
- MOL 文件:3125-66-4.mol
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