1-(Ferrocenyl)Ethanol 1-二茂铁基乙醇
CAS 1277-49-2 MFCD00013752
化学结构图
SMILES: CC(O)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
化学属性
| Mol. Formula | C12H14FeO |
|---|---|
| Mol. Weight | 230.08 |
| Density | 1.422 |
| Melting Point | 77-79 °C |
| Flash Point | >100°(212°F) |
| TSCA | No |
别名和识别编码
| Chemical Name | 1-(Ferrocenyl)Ethanol |
|---|---|
| Synonym | α-Methylferrocenemethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00013752 |
| CAS Number | 1277-49-2 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| PubChem Substance ID | 87570861 |
| Chemical Name Translation | 1-二茂铁基乙醇 |
| InChIKey | OATGCGMWYIPHOI-UHFFFAOYSA-N |
| Wiswesser Line Notation | L50J 0-FE-- 0L50J AYQ1 |
| LabNetwork Molecule ID | LN01318917 |
| Canonical SMILES | [][Fe][].CC(O)c1cccc1.c2cccc2 |
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分类
- {uni_hamburg} no charge; metal-organic; other heterocycle; carbocycle; alicycle; fused rings; 3ring; 4ring; 5ring; 6ring; alcohol; racemate; 1fragment; zwitterion
- {SNA} Catalysis and Inorganic Chemistry, Chemical Synthesis, Iron Catalysts
- {SNA} Catalysis and Inorganic Chemistry, Chemical Synthesis, Iron
相关文献及参考
- Short: III/35D5 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 5: Organometallic Compounds Author: Mikhova, Bozhana Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D5 Year: 2008 Keyword: Carbon-13; chemical shift; magnetic properties of nuclei; nuclear magnetic resonance data ISBN: 978-3-540-74188-6 (print) ISBN: 978-3-540-74189-3 (electronic) Internet Resource: DOI:10.1007/978-3-540-74189-3 RefComment: VIII, 241 p., Hardcover RefComment: Written for Scientists and engineers in the fields of physics, chemistry and physical chemistry who intend 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, oriented 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
GHS Symbol
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R22 Harmful if swallowed 吞咽有害
- 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。
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P302+P352+P332+P313+P362+P364
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P332+P313
- P305+P351+P338+P337+P313
- P302+P350
- P337+P313
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08813
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