4-Phenyl-3-Butyn-2-One 4-苯基-3-丁炔-2-酮
CAS 1817-57-8 MFCD00008776
化学结构图
SMILES: CC(=O)C#Cc1ccccc1
化学属性
| Mol. Formula | C10H8O |
|---|---|
| Mol. Weight | 144.17 |
| Density | 0.99 g/mL at 25 °C(lit.) |
| Boiling Point | 130°C/22mmHg(lit.) |
| Refractive index | 1.5720 to 1.5770 |
| Flash Point | 95°C(lit.) |
| TSCA | No |
| Melting Point | 4°C |
别名和识别编码
| Chemical Name | 4-Phenyl-3-Butyn-2-One |
|---|---|
| MDL Number | MFCD00008776 |
| PubChem Substance ID | 74555 |
| CAS Number | 1817-57-8 |
| EC Number | 217-327-1 |
| Reaxys-RN | 878583 |
| Beilstein Registry Number | 7(4)1175 |
| Synonym | (3-Oxo-1-butynyl)benzene 1-Acetyl-2-phenylethyne 1-Phenyl-1-butyn-3-one 1-Phenyl-2-acetylacetylene 1-phenylbut-1-yn-3-one 3-Butyn-2-one, 4-phenyl- 4-PHENYL-3-BUTYN-2-ONE 4-PHENYL-3-BUTYN-2-ONE 97+% 4-Phenyl-3-batyu-2-one 4-Phenyl-3-butin-2-on 4-Phenyl-3-butyn-2-one 4-Phenyl-3-butyne-2-one 4-phenyl-3-butyn-2-0ne 4-phenyl-3-butyn-2-on 4-phenyl-3-butyn-2-one 4-phenyl-but-3-yn-2-one 4-phenylbut-3-yn-2-one 4-苯基-3-丁炔-2-酮 Acetylphenylacetylene Methyl phenylethynyl ketone PBYO cpd Phenylacetylacetylen Phenylbutynone Phenylethynyl methyl ketone acylacetylene |
| Chemical Name Translation | 4-苯基-3-丁炔-2-酮 |
| InChIKey | UPEUQDJSUFHFQP-UHFFFAOYSA-N |
| Wiswesser Line Notation | 1V1UU1R |
| InChI | InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3 |
| LabNetwork Molecule ID | LN00216362 |
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分类
- {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Beil. 7 ,385
- Aldrich MSDS 1 , 1460:A / Corp MSDS 1 (2), 2766:C / FT-IR 1 (2), 948:D / FT-IR 2 (3), 4047:D / FT-NMR 1 (3), 537:B / IR-Spectra (3), 1441:A / NMR-Reference 2 (2), 963:C / RegBook 1 (2), 2715:B / Structure Index 1 , 427:A:9 / Vapor Phase 3 , 1600:B
- Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
- Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-54
安全信息
- H302 Harmful if swallowed 吞食有害
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
GHS Symbol
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- 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。
- P301+P312
- P302+P350
- P302+P352
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P337+P313
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P332+P313
- P337+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
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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
- R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- 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；
- S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
- S37 Wear suitable gloves 戴适当手套；
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 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#05642
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,103,1981
其他信息
- TCI Shanghai:4-苯基-3-丁炔-2-酮 4-Phenyl-3-butyn-2-one,>;97.0%(GC)(1817-57-8)
- Sigma Aldrich:1817-57-8(sigmaaldrich)
- MOL 文件:1817-57-8.mol
- Alfa Aesar:4-苯基-3-丁炔-2-酮,96% 4-Phenyl-3-butyn-2-one, 96%(1817-57-8)
- 图谱信息:4-苯基-3-丁炔-2-酮 (1817-57-8)核磁图( 13 CNMR) 4-苯基-3-丁炔-2-酮 (1817-57-8)核磁图( 1 HNMR) 4-苯基-3-丁炔-2-酮 (1817-57-8)质谱(MS) 4-苯基-3-丁炔-2-酮 (1817-57-8)红外图谱(IR1)
