CAS Number120511-72-0
SynonymsMFCD08062446; α1,α1,α3,α3,5-Pentamethyl-1,3-benzenediacetonitrile; 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile); α,α,α',α',5-Pentamethyl-1,3-benzenediacetonitrile; 3,5-Bis(2-cyanoprop-2-yl)toluene; NCX1&1&R C1 EX1&1&CN; 2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile); Pentamethyl-1,3-benzenediacetonitrile
Molecular FormulaC15H18N2
Molecular Weight226.32
Purity98%
Density1.0±0.1 g/cm3
Boiling Point339.1±32.0 °C at 760 mmHg
Melting Point127-130ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 120511-72-0 |
| Catalog No. | 2A-9001520 |
| Chinese Name | 5,α,α,α',α'-五甲基-1,3-苯二乙腈;阿那曲唑中间体 |
| Synonyms | MFCD08062446; α1,α1,α3,α3,5-Pentamethyl-1,3-benzenediacetonitrile; 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile); α,α,α',α',5-Pentamethyl-1,3-benzenediacetonitrile; 3,5-Bis(2-cyanoprop-2-yl)toluene; NCX1&1&R C1 EX1&1&CN; 2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile); Pentamethyl-1,3-benzenediacetonitrile |
| Molecular Formula | C15H18N2 |
| Molecular Weight | 226.32 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 339.1±32.0 °C at 760 mmHg |
| Melting Point | 127-130ºC |
| Storage Condition | Refrigerator |
| HTC | 2926909090 |
| MDL Number | MFCD08062446 |
| SMILES | N#CC(C)(C)c1cc(cc(c1)C)C(C)(C)C#N |
| InChI | 1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3 |
| InChI Key | SJECEXNMZXMXNE-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/1520_1_120511_72_0.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:C15H18N2 Molecular weight:226.3 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 Safety Information Hazard Codes Xi RIDADR NONH for all modes of transport HS Code 2926909090 Synthetic Route 5-Methyl-1,3-be... CAS#:120511-74-2 methyl iodide CAS#:74-88-4 Pentamethyl-1,3... CAS#:120511-72-0 Literature: Jackson, Toby; Woo, L. W. Lawrence; Trusselle, Melanie N.; Chander, Surinder K.; Purohit, Atul; Reed, Michael J.; Potter, Barry V. L. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 18 p. 2940 - 2952 methyl iodide CAS#:74-88-4 Pentamethyl-1,3... CAS#:120511-72-0 5-Methyl-1,3-be... CAS#:120511-74-2 Methyl p-toluen... CAS#:80-48-8 Pentamethyl-1,3... CAS#:120511-72-0 Literature: Mei, Yu-Hua; Luo, Yu; Lu, Wei Organic Preparations and Procedures International, 2008 , vol. 40, # 5 p. 487 - 489 Precursor & DownStream Precursor 7 CAS#:120511-74-2 5-Methyl-1,3-be... CAS#:74-88-4 methyl iodide CAS#:80-48-8 Methyl p-toluen... CAS#:1611-92-3 3,5-Dibromotoluene DownStream 2 CAS#:120511-73-1 Anastrozole CAS#:120511-84-4 3,5-Bis(2-cyano... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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