1H-Pyrazole, 1-phenyl- 1-苯基吡唑
CAS 1126-00-7 MFCD00003112
化学结构图
SMILES: c1ccc(-n2cccn2)cc1
化学属性
| Mol. Formula | C9H8N2 |
|---|---|
| Mol. Weight | 144 |
| Density | 1.091 |
| Refractive index | 1.5920 to 1.5990 |
| Flash Point | 109°(228°F) |
| TSCA | No |
| Boiling Point | 141-142 |
别名和识别编码
| Chemical Name | 1H-Pyrazole, 1-phenyl- |
|---|---|
| CAS Number | 1126-00-7 |
| Alfabeta Name | PHENYLPYRAZOLE H11--- |
| MDL Number | MFCD00003112 |
| Synonym | 1-PHENYLPYRAZOLE 1-Phenyl-1H-pyrazole 1-Phenylpyrazole 1-苯基吡唑 |
| EC Number | 214-415-1 |
| Beilstein Registry Number | 2594 |
| PubChem Substance ID | 70769 |
| Chemical Name Translation | 1-苯基吡唑 |
| Reaxys-RN | 2594 |
| InChIKey | WITMXBRCQWOZPX-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00009641 |
| InChI | InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H |
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分类
- {SNA} Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
- {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 5ring; 6ring; 1fragment
相关文献及参考
- Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
- Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., 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. NMR is now a leading technique and a
安全信息
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
GHS Symbol
- 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
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- 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。
- P302+P350
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P337+P313
- P332+P313
- 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
其他信息
- 1-苯基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A14270 1-苯基吡唑, 98% 1-Phenyl-1H-pyrazole, 98% 50g 2058元 2010/05/25 A14270 1-苯基吡唑, 98% 1-Phenyl-1H-pyrazole, 98% 250g 8246元 2010/05/25 A14270 1-苯基吡唑, 98% 1-Phenyl-1H-pyrazole, 98% 10g 517元
- Alfa Aesar:1-苯基吡唑,98% 1-Phenyl-1H-pyrazole, 98%(1126-00-7)
- Sigma Aldrich:1126-00-7(sigmaaldrich)
- MOL 文件:1126-00-7.mol
- 检测方法:GC,NMR
- 上游原料:乙醇 --> 二氯甲烷 --> 苯肼 --> 1,1,3,3-四甲氧基丙烷
