CAS Number129822-48-6
Synonyms1-BOC-5-Chloroindole; 2-Methyl-2-propanyl 5-chloro-1H-indole-1-carboxylate; tert-butyl 5-chloroindole-1-carboxylate; MFCD05865201; 1H-Indole-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester; 1-(tert-Butoxycarbonyl)-5-chloroindole
Molecular FormulaC13H14ClNO2
Molecular Weight282.77
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point349.9±34.0 °C at 760 mmHg
Melting Point45-50ºC(lit.)
Appearancesolid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 129822-48-6 |
| Catalog No. | 2A-0165620 |
| Chinese Name | 5-氯-1H-吲哚-1-甲酸叔丁酯 |
| Synonyms | 1-BOC-5-Chloroindole; 2-Methyl-2-propanyl 5-chloro-1H-indole-1-carboxylate; tert-butyl 5-chloroindole-1-carboxylate; MFCD05865201; 1H-Indole-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester; 1-(tert-Butoxycarbonyl)-5-chloroindole |
| Molecular Formula | C13H14ClNO2 |
| Molecular Weight | 282.77 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 349.9±34.0 °C at 760 mmHg |
| Melting Point | 45-50ºC(lit.) |
| Appearance | solid |
| Storage Condition | room temperature, dry |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| PubChem ID | 329776807 |
| MDL Number | MFCD20441457 |
| SMILES | Cl.CC(C)(C)OC(=O)n1ccc2cc(CN)ccc12 |
| InChI | 1S/C14H18N2O2.ClH/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16;/h4-8H,9,15H2,1-3H3;1H |
| InChI Key | KOZMDQMQJKFHKH-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/165620_1_129822_48_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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:No data Flash point:No data Molecular weight: 251.7 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 Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (1-BOC-5-Chloroindole) 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 Safety Information Signal Word Danger Hazard Statements H301-H317-H413 Precautionary Statements P280-P301 + P310 Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges Hazard Codes T Risk Phrases R25 HS Code 2933990090 Synthetic Route Di-tert-butyl d... CAS#:24424-99-5 5-Chloroindole CAS#:17422-32-1 1-(tert-Butoxyc... CAS#:129822-48-6 tert-butyl 5-ch... CAS#:138343-86-9 1-(tert-Butoxyc... CAS#:129822-48-6 Literature: Synthesis, , # 10 p. 871 - 878 Di-tert-butyl d... CAS#:24424-99-5 1-(tert-Butoxyc... CAS#:129822-48-6 Literature: Synthesis, , # 10 p. 871 - 878 Precursor & DownStream Precursor 5 CAS#:24424-99-5 Di-tert-butyl d... CAS#:17422-32-1 5-Chloroindole CAS#:138343-86-9 tert-butyl 5-ch... CAS#:129822-41-9 tert-butyl N-(4... DownStream 3 CAS#:475102-12-6 (1-(TERT-BUTOXY... CAS#:17422-32-1 5-Chloroindole CAS#:777061-36-6 tert-butyl 5-(4... |
| 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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