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4-Nitrophenyl isocyanate
Dangerous GoodsCAS number：100-28-7 molecular formula：C7H4N2O3
overview
Specs
| Chinese alias | - | ||
| English alias | p-nitrophenyl isocyanate; 1-isocyanato-4-nitro-benzen; benzene,1-isocyanato-4-nitro-; isocyanic acid, p-nitrophenyl ester; isocyanicacid,p-nitrophenylester; isocyanic acid 4-nitrophenyl ester | ||
| CAS number | 100-28-7 | molecular formula | C7H4N2O3 |
| molecular weight | 164.12 | Exact mass | - |
| PSA | - | logp | - |
numbering system
| CAS | 100-28-7 |
| UNII | L4X2CUC34D |
| Wikidata | Q72495515 |
| NSC Number | NSC Number: NSC9800 |
| PubChem CID | 66012 |
| Nikkaji Number | J95.075K |
| DSSTox Substance ID | DTXSID80870440 |
| European Community (EC) Number | 202-836-3 |
| PubChem Reference Collection SID | 505558227 |
physicochemical properties
| XLogP3 | 3 |
| Complexity | 209 |
| Exact Mass | 164.02219199 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Molecular Weight | 164.12 |
| Monoisotopic Mass | 164.02219199 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Topological Polar Surface Area | 75.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Lethal Dose：
collection=toxvaldb&kind=^LD$
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
100-28-7 | p-nitrophenyl isocyanate | p-nitrophenyl isocyanate | 4-nitrophenyl isocyanate | isocyanato-4-nitrobenzene
