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CAS No.: | 2008-59-5 |
---|---|
Name: | Benzene, 1-isocyano-3-nitro- (9CI) |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H4 N2 O2 |
Molecular Weight: | 148.121 |
Synonyms: | Phenylisocyanide, m-nitro- (6CI,7CI); m-Nitrophenyl isocyanide |
Density: | g/cm3 |
Melting Point: | 97-99 °C |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Hazard Symbols: | Low toxicity by ingestion. |
Safety: | Moderately toxic by subcutaneous route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
PSA: | 45.82000 |
LogP: | 1.89950 |
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Molecule structure of m-Nitrophenyl isocyanide (CAS NO.2008-59-5) :
IUPAC Name: 1-isocyano-3-nitrobenzene
Molecular Weight: 148.11886 g/mol
Molecular Formula: C7H4N2O2
XLogP3: 1.2
H-Bond Acceptor: 3
Exact Mass: 148.027277
MonoIsotopic Mass: 148.027277
Topological Polar Surface Area: 47.5
Heavy Atom Count: 11
Complexity: 200
Canonical SMILES: [C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-]
InChI: InChI=1S/C7H4N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5H
InChIKey: YZCSJSFXYQDTCK-UHFFFAOYSA-N
Product Categories of m-Nitrophenyl isocyanide (CAS NO.2008-59-5) : ISONITRITE
1. | orl-mus LD :>5 g/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3422190 . | ||
2. | scu-mus LD :>1 g/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3422190 . |
Moderately toxic by subcutaneous route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.
m-Nitrophenyl isocyanide (CAS NO.2008-59-5) is also called 1-Isocyano-3-nitrobenzene ; Phenyl isocyanide, m-nitro- ; Benzene, 1-isocyano-3-nitro- .