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1-ethyl-4-nitrobenzene
Dangerous GoodsCAS number：100-12-9 molecular formula：C8H9NO2
overview
Specs
| Chinese alias | 对乙基硝基苯 | 对硝基苯甲酸乙酯 | 1-乙基-4-硝基苯 | ||
| English alias | p-Nitroethylbenzene | DTXSID9059206 | 4'-Nitroethylbenzene | AKOS000120517 | InChI=1/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H | p-Ethylnitrobenzene | 4-ethyl nitrobenzene | EN300-20894 | p-Ethyl nitro benzene | SCHEMBL128402 | Benzene, 1-ethyl-4-ni | ||
| CAS number | 100-12-9 | molecular formula | C8H9NO2 |
| molecular weight | 151.16 | Exact mass | ≥99%(GC) |
| PSA | 45.8 | logp | 3 |
numbering system
| CAS | 100-12-9 |
| UNII | PF7XXJ3RM4 |
| Wikidata | Q63399212 |
| NSC Number | NSC Number: NSC858 |
| PubChem CID | 7480 |
| Nikkaji Number | J47.815F |
| DSSTox Substance ID | DTXSID9059206 |
| European Community (EC) Number | 202-821-1 |
| PubChem Reference Collection SID | 500742323 |
| MEP ID | _25Q1B45W6 |
physicochemical properties
| XLogP3 | 3 |
| Complexity | 134 |
| Exact Mass | 151.063328530 |
| Formal Charge | 0 |
| Vapor Pressure | 0.02 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
| Heavy Atom Count | 11 |
| Molecular Weight | 151.16 |
| Monoisotopic Mass | 151.063328530 |
| Isotope Atom Count | 0 |
| Physical Description | Clear yellow liquid; [Sigma-Aldrich MSDS] |
| Rotatable Bond Count | 1 |
| Kovats Retention Index | Standard polar: 2057 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 45.8 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
An irritant; [Sigma-Aldrich MSDS] See p-Nitrotoluene, a cause of primary methemoglobinemia.
Regulatory Information：
The Australian Inventory of Industrial Chemicals: Chemical: Benzene, 1-ethyl-4-nitro-
Other Safety Information：
Chemical Assessment: Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories：
STOT SE 3 (100%)
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-12-9 | p-nitroethylbenzene | p-nitroethylbenzene
