CAS Number13531-48-1
SynonymsMethyl m-cyanobenzoate; MFCD00220156; Benzoic acid, 3-cyano-, methyl ester; Methyl 3-cyanobenzoate
Molecular FormulaC9H7NO2
Molecular Weight161.16
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point267.2±23.0 °C at 760 mmHg
Melting Point59-61ºC
Appearancewhite crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13531-48-1 |
| Catalog No. | 2A-9035675 |
| Chinese Name | 3-氰基苯甲酸甲酯 |
| Synonyms | Methyl m-cyanobenzoate; MFCD00220156; Benzoic acid, 3-cyano-, methyl ester; Methyl 3-cyanobenzoate |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 267.2±23.0 °C at 760 mmHg |
| Melting Point | 59-61ºC |
| Appearance | white crystal |
| Storage Condition | room temperature, dry |
| HTC | 2926909090 |
| PubChem ID | 594150 |
| SMILES | COC(=O)c1cccc(C#N)c1 |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3 |
| InChI Key | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| 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 Safety Information Hazard Codes Xn:Harmful HS Code 2926909090 Synthetic Route methyl iodide Methyl 3-cyanob... 13531-48-1 3-Cyanobenzoic ... methyl iodide Methyl 3-cyanob... 13531-48-1 3-Cyanobenzoic ... Methyl 3-cyanob... 13531-48-1 Literature: Pignataro, Luca; Boghi, Michele; Civera, Monica; Carboni, Stefano; Piarulli, Umberto; Gennari, Cesare Chemistry - A European Journal, 2012 , vol. 18, # 5 p. 1383 - 1400 Precursor & DownStream Precursor 10 CAS#:74-88-4 methyl iodide CAS#:1877-72-1 3-Cyanobenzoic acid CAS#:67-56-1 CAS#:18107-18-1 (Trimethylsilyl... DownStream 9 CAS#:34231-22-6 (3-(AMINOMETHYL... CAS#:180863-55-2 Methyl 3-(((ter... CAS#:23568-85-6 3-(2,2,2-triflu... CAS#:1877-71-0 Mono-methyl iso... |
| 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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