7-Oxabicyclo[2.2.1]Heptane 1,4-环氧环己烷
CAS 279-49-2 MFCD00082342
化学结构图
SMILES: C1C[C@H]2CC[C@@H]1O2
化学属性
| Mol. Formula | C6H10O |
|---|---|
| Mol. Weight | 98.15 g/mol |
| Density | 0.968 g/mL at 25 °C(lit.) |
| Refractive index | 1.4460 to 1.4500 |
| Flash Point | 13°C(lit.) |
| TSCA | No |
| Boiling Point | 120°C(lit.) |
别名和识别编码
| Chemical Name | 7-Oxabicyclo[2.2.1]Heptane |
|---|---|
| Synonym | 1,4-EPOXYCYCLOHEXANE 1,4-Epoxycyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| MDL Number | MFCD00082342 |
| CAS Number | 279-49-2 |
| EC Number | 205-998-3 |
| PubChem Substance ID | 9234 |
| Reaxys-RN | 102694 |
| Chemical Name Translation | 1,4-环氧环己烷 |
| InChIKey | YPWFNLSXQIGJCK-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01742236 |
| InChI | InChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2 |
| Canonical SMILES | C1CC2CCC1O2 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Epoxides, Organic Building Blocks, Oxygen Compounds
- {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; fused rings; 5ring; 6ring; ether; 1fragment
相关文献及参考
- Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
- Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shift
安全信息
- R11 Highly flammable 非常易燃
- 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；
- S33 Take precautionary measures against static discharges 对静电采取预防措施；
- S29 Do not empty into drains 不要排入下水道；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
GHS Symbol
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- 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。
- P303+P361+P353
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P233 Keep container tightly closed. ?保持容器密闭。
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P370+P378
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241+P242+
其他信息
- TCI Shanghai:1,4-环氧环己烷 1,4-Epoxycyclohexane,>;98.0%(GC)(279-49-2)
- MOL 文件:279-49-2.mol
- Alfa Aesar:7-杂氧二环[2.2.1]庚烷,98% 7-Oxabicyclo[2.2.1]heptane, 98%(279-49-2)
- Acros Organics:7-Oxabicyclo[2.2.1]heptane, 99%(279-49-2)
- Sigma Aldrich:279-49-2(sigmaaldrich)
- 上游原料:乙醚 --> 酸性氧化铝 --> 1,4-环己二醇
- 1,4-环氧环己烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0508 1,4-环氧环己烷 1,4-Epoxycyclohexane 5ML 701元 2014/06/02 E0508 1,4-环氧环己烷 1,4-Epoxycyclohexane 25ML 2390元 2010/06/21 129590050 1,4-环氧环己烷 7-Oxabicyclo[2.2.1]heptane 99% 5 GR 926元
