3-Nitro-4-methylbenzonitrile structure 
             | 
        Common Name | 3-Nitro-4-methylbenzonitrile | ||
|---|---|---|---|---|
| CAS Number | 939-79-7 | Molecular Weight | 162.145 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 282.0±28.0 °C at 760 mmHg | |
| Molecular Formula | C8H6N2O2 | Melting Point | 102-106 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 124.3±24.0 °C | |
| Symbol | 
             
            
            GHS07  | 
        Signal Word | Warning | |
| Name | 4-Methyl-3-nitrobenzonitrile | 
|---|---|
| Synonym | More Synonyms | 
| Density | 1.3±0.1 g/cm3 | 
|---|---|
| Boiling Point | 282.0±28.0 °C at 760 mmHg | 
| Melting Point | 102-106 °C(lit.) | 
| Molecular Formula | C8H6N2O2 | 
| Molecular Weight | 162.145 | 
| Flash Point | 124.3±24.0 °C | 
| Exact Mass | 162.042923 | 
| PSA | 69.61000 | 
| LogP | 1.63 | 
| Vapour Pressure | 0.0±0.6 mmHg at 25°C | 
| Index of Refraction | 1.568 | 
| Symbol | 
                                    
                                     
                                    
                                    GHS07  | 
                            
|---|---|
| Signal Word | Warning | 
| Hazard Statements | H315-H319-H335 | 
| Precautionary Statements | P261-P305 + P351 + P338 | 
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves | 
| Hazard Codes | Xi: Irritant; | 
| Risk Phrases | R36/37/38 | 
| Safety Phrases | S26-S36 | 
| RIDADR | 3439 | 
| WGK Germany | 3 | 
| Packaging Group | III | 
| Hazard Class | 6.1 | 
| HS Code | 2926909090 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Allison, Brett D.; Hack, Michael D.; Phuong, Victor K.; Rabinowitz, Michael H.; Rosen, Mark D. Patent: US2005/38032 A1, 2005 ; Location in patent: Page/Page column 29 ; US 20050038032 A1 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Patil, Dinanath D.; Wadhava, Gurumeet C.; Deshmukh, Arun K. Asian Journal of Chemistry, 2012 , vol. 24, # 3 p. 1401 - 1402 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Sundermeier, Mark; Zapf, Alexander; Mutyala, Sateesh; Baumann, Wolfgang; Sans, Juergen; Weiss, Stefan; Beller, Matthias Chemistry - A European Journal, 2003 , vol. 9, # 8 p. 1828 - 1836 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Zheng, Kui; Yu, Peng; Chen, Shuyou; Chen, Fen; Cheng, Jiang Chinese Journal of Chemistry, 2013 , vol. 31, # 4 p. 449 - 452 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708 | 
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                                            3-Nitro-4-methy... CAS#:939-79-7  | 
                                
| Literature: Chemische Berichte, , vol. 27, p. 2165 | 
| Precursor 10 | |
|---|---|
| DownStream 10 | |
| HS Code | 2926909090 | 
|---|---|
| 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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                                     J. Med. Chem. 53(5) , 2264-76, (2010) NSC 240898 was previously identified as a botulinum neurotoxin A light chain (BoNT/A LC) endopeptidase inhibitor by screening the National Cancer Institute Open Repository diversity set. Two types of ...  | 
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                                    Comparative vibrational spectroscopic investigation of benzonitrile derivatives using density functional theory. Misra N, et al.
                                    
                                    
                                     Der Pharma Chemica 1(1) , 196-209, (2009) 
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                                    4-Methyl-3-nitrobenzonitrile. Cui LJ and Dai J
                                    
                                    
                                     Acta Crystallogr. Sect. E Struct. Rep. Online 64(10) , o1898, (2008) 
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