Product Name

  • Name

    Benzene, 1-isocyano-3-nitro- (9CI)

  • EINECS
  • CAS No. 2008-59-5
  • Article Data9
  • CAS DataBase
  • Density g/cm3
  • Solubility
  • Melting Point 97-99 °C
  • Formula C7H4 N2 O2
  • Boiling Point °Cat760mmHg
  • Molecular Weight 148.121
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by subcutaneous route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 2008-59-5 (Benzene, 1-isocyano-3-nitro- (9CI))
  • Hazard Symbols Low toxicity by ingestion.
  • Synonyms Phenylisocyanide, m-nitro- (6CI,7CI); m-Nitrophenyl isocyanide
  • PSA 45.82000
  • LogP 1.89950

m-Nitrophenyl isocyanide Chemical Properties

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

m-Nitrophenyl isocyanide Toxicity Data With Reference

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 .

m-Nitrophenyl isocyanide Safety Profile

Moderately toxic by subcutaneous route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.

m-Nitrophenyl isocyanide Specification

 m-Nitrophenyl isocyanide (CAS NO.2008-59-5) is also called 1-Isocyano-3-nitrobenzene ; Phenyl isocyanide, m-nitro- ; Benzene, 1-isocyano-3-nitro- .

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