CAS Number1671-49-4
Synonyms4-Methylsulfonyl-2-nitrotoluene; 4-Methanesulfonyl-2-nitrotoluene; EINECS 430-550-0; 1-methyl-4-methylsulfonyl-2-nitrobenzene; MFCD00047808; Methyl 3-nitro-p-tolyl sulfone; 2-Nitro-4-methylsulfonyltoluene; Methyl 4-methyl-3-nitrophenyl sulfone; 1-Methyl-4-(methylsulfonyl)-2-nitrobenzene; 4--Methylsulfonyl-2-nitrotoluene
Molecular FormulaC8H9NO4S
Molecular Weight215.229
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point387.8±42.0 °C at 760 mmHg
Melting Point120-121°C
AppearanceWhite to off-white powder or crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1671-49-4 |
| Catalog No. | 2A-9027245 |
| Chinese Name | 2-硝基-4-磺酰甲基甲苯 |
| Synonyms | 4-Methylsulfonyl-2-nitrotoluene; 4-Methanesulfonyl-2-nitrotoluene; EINECS 430-550-0; 1-methyl-4-methylsulfonyl-2-nitrobenzene; MFCD00047808; Methyl 3-nitro-p-tolyl sulfone; 2-Nitro-4-methylsulfonyltoluene; Methyl 4-methyl-3-nitrophenyl sulfone; 1-Methyl-4-(methylsulfonyl)-2-nitrobenzene; 4--Methylsulfonyl-2-nitrotoluene |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.229 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 387.8±42.0 °C at 760 mmHg |
| Melting Point | 120-121°C |
| Appearance | White to off-white powder or crystal |
| Storage Condition | Keep container sealed and store in a cool, dry pla |
| HTC | 2904909090 |
| PubChem ID | 5706236 |
| MDL Number | MFCD00047808 |
| SMILES | Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] |
| InChI | InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3 |
| InChI Key | OXBDLEXAVKAJFD-UHFFFAOYSA-N |
| MSDS | msds/27245_1_1671_49_4.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: Melting point:No data Flash point:No data Molecular formula: C8H9NO4S Molecular weight: 215.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur 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 Safety Information Hazard Codes Xi RIDADR 2811 HS Code 2904909090 Synthetic Route Total: 1 Page 1-Methyl-4-(met... CAS#:3185-99-7 Methyl 3-nitro-... CAS#:1671-49-4 Literature: Journal of Organic Chemistry, , vol. 18, p. 1380,1400 Journal of the American Chemical Society, , vol. 81, p. 342,347 2-Nitrotoluene CAS#:88-72-2 Mesyl anhydride CAS#:7143-01-3 Methyl 3-nitro-... CAS#:1671-49-4 Literature: Olah; Orlinkov; Oxyzoglou; Prakash, G.K. Suria Russian Journal of Organic Chemistry, 1998 , vol. 34, # 11 p. 1573 - 1578 Precursor & DownStream Precursor 3 CAS#:3185-99-7 1-Methyl-4-(met... CAS#:88-72-2 2-Nitrotoluene CAS#:7143-01-3 Mesyl anhydride DownStream 2 CAS#:110964-79-9 4-(Methylsulfon... CAS#:393085-45-5 2-AMINO-4-(METH... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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