CAS Number1127-59-9
SynonymsEINECS 214-431-9; 7-METHYL-1H-INDOLE-2,3-DIONE; 7-Methylisatin; MFCD00022797
Molecular FormulaC9H7O2N1
Molecular Weight161.16
Purity96+%
Density1.3±0.1 g/cm3
Boiling Point95-98 °C0.05 mm Hg(lit.)
Melting Point41-46 °C(lit.)
AppearanceSolid;Light yellow to Yellow to Orange powder to crystal
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1127-59-9 |
| Catalog No. | 2A-0149861 |
| Chinese Name | 7-甲基靛红 |
| Synonyms | EINECS 214-431-9; 7-METHYL-1H-INDOLE-2,3-DIONE; 7-Methylisatin; MFCD00022797 |
| Molecular Formula | C9H7O2N1 |
| Molecular Weight | 161.16 |
| Purity | 96+ |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 95-98 °C0.05 mm Hg(lit.) |
| Melting Point | 41-46 °C(lit.) |
| Appearance | Solid;Light yellow to Yellow to Orange powder to crystal |
| Storage Condition | Store under inert gas; avoid air |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| MDL Number | MFCD00022797 |
| SMILES | Cc1cccc2c1NC(=O)C2=O |
| InChI | InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12) |
| InChI Key | UEHZKEABUOAZSH-UHFFFAOYSA-N |
| MSDS | msds/149861_1_1127_59_9.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:C9H7NO2 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 : Indole-2,3-dione, 7-methyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H7-N-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BMVVJ I1 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 : Lungs, Thorax, or Respiration - respiratory stimulation 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: 15,858,1981 Safety Information Hazard Codes Xi: Irritant; HS Code 2933990090 Synthetic Route 7-Methylindole 7-Methylisatin Literature: Kumar, Chebolu Naga Sesha Sai Pavan; Devi, Chebrolu Lavanya; Rao, Vaidya Jayathirtha; Palaniappan, Srinivasan Synlett, 2008 , # 13 p. 2023 - 2027 3-methyl-2-nitr... 1189052-01-4 7-Methylisatin Literature: Soederberg, Bjoern C.G.; Gorugantula, Sobha P.; Howerton, Chet R.; Petersen, Jeffrey L.; Dantale, Shubhada W. Tetrahedron, 2009 , vol. 65, # 36 p. 7357 - 7363 o-Toluidine 7-Methylisatin Literature: Bioorganic and Medicinal Chemistry, , vol. 13, # 6 p. 1945 - 1967 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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