| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1198-97-6 |
| Catalog No. | 2A-9026466 |
| Chinese Name | 4-苯基-2-吡咯烷酮 |
| Synonyms | 4-phenylpyrrolidin-2-one; 4-Phenyl-2-pyrrolidinone |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.200 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 362.3±31.0 °C at 760 mmHg |
| Melting Point | 96 °C |
| Appearance | Solid;White to Light yellow powder to crystal |
| Water Solubility | Soluble in: methanol |
| Storage Condition | 0-10°C; store under inert gas; avoid moisture (dec |
| HTC | 2933790090 |
| PubChem ID | 5144519 |
| SMILES | O=C1CC(c2ccccc2)CN1 |
| InChI | InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12) |
| InChI Key | HOJZEMQCQRPLQQ-UHFFFAOYSA-N |
| MSDS | msds/26466_1_1198_97_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C10H11NO Molecular weight:161.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 2-Pyrrolidinone, 4-phenyl- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H11-N-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia REFERENCE : AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.10- 1962- Volume(issue)/page/year: 23,733,1975 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness 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: 14,776,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Behavioral - analgesia REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 44,22,1981 Safety Information Hazard Codes Xi HS Code 2933790090 Synthetic Route β-(Nitrome... 34687-03-1 4-Phenyl-2-pyrr... Literature: Naito, Takeaki; Honda, Yuko; Bhavakul, Vanida; Yamaguchi, Sayaka; Fujiwara, Azusa; Miyata, Okiko; Ninomiya, Ichiya Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 12 p. 1932 - 1939 (±)-4-nitro-3... 866789-27-7 4-Phenyl-2-pyrr... Literature: Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V. Organic and Biomolecular Chemistry, 2005 , vol. 3, # 17 p. 3140 - 3160 Methyl cinnamat... 4-Phenyl-2-pyrr... Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 17 p. 4539 - 4544 Precursor & DownStream Precursor 10 CAS#:34687-03-1 β-(Nitromethyl)... CAS#:866789-27-7 (±)-4-nitro-3... CAS#:103-26-4 Methyl cinnamate CAS#:14025-83-3 3-cyano-3-pheny... DownStream 10 CAS#:1078-21-3 CAS#:22349-30-0 3-phenyl-3,4-di... CAS#:3060-41-1 3-Amino-4-pheny... CAS#:77472-70-9 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 9.0% Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
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