| Chemical & Physical Properties | |
|---|---|
| CAS Number | 54778-20-0 |
| Catalog No. | 2A-9069645 |
| Chinese Name | 2-氯代-1H-靛基质-3-羧酸 |
| Synonyms | 2-chloro-1H-indole-3-carboxylic acid |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.60200 |
| Density | 1.548 g/cm3 |
| Boiling Point | 434.4ºC at 760 mmHg |
| Storage Condition | 2-8°C, sealed, dry |
| HTC | 2933990090 |
| SMILES | O=C(O)c1c(Cl)[nH]c2ccccc12 |
| InChI | InChI=1S/C9H6ClNO2/c10-8-7(9(12)13)5-3-1-2-4-6(5)11-8/h1-4,11H,(H,12,13) |
| InChI Key | SXIIAHIAZAMFPW-UHFFFAOYSA-N |
| MSDS | msds/69645_1_54778_20_0.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. 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:No data Flash point:No data Molecular weight: 195.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. 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 : 1H-Indole-3-carboxylic acid, 2-chloro- CAS REGISTRY NUMBER : 54778-20-0 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H6-Cl-N-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977 Safety Information Hazard Codes Xn HS Code 2933990090 Synthetic Route 2-(2,2-dichloro... CAS#:54143-01-0 Cesium carbonate CAS#:534-17-8 2-Chloro-1H-ind... CAS#:54778-20-0 Literature: Kunzer, Aaron R.; Wendt, Michael D. Tetrahedron Letters, 2011 , vol. 52, # 15 p. 1815 - 1818 2-Chloro-1H-ind... CAS#:5059-30-3 2-Chloro-1H-ind... CAS#:54778-20-0 Literature: Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426 1,4-Dioxane CAS#:123-91-1 Sodium chlorite CAS#:7758-19-2 Sodium phosphat... CAS#:10049-21-5 2-Methylbut-2-ene CAS#:513-35-9 2-Chloro-1H-ind... CAS#:5059-30-3 Literature: US5464861 A1, ; US 5464861 A Precursor & DownStream Precursor 9 CAS#:54143-01-0 2-(2,2-dichloro... CAS#:534-17-8 Cesium carbonate CAS#:5059-30-3 2-Chloro-1H-ind... CAS#:123-91-1 1,4-Dioxane DownStream 1 CAS#:83894-17-1 1H-Indole-3-car... |
| 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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