Product Name

  • Name

    N-benzylnitrosourea

  • EINECS
  • CAS No. 775-11-1
  • Article Data2
  • CAS DataBase
  • Density 1.28g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9 N3 O2
  • Boiling Point 318.1°C at 760 mmHg
  • Molecular Weight 179.178
  • Flash Point 146.2°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 775-11-1 (N-benzylnitrosourea)
  • Hazard Symbols
  • Synonyms Urea,1-benzyl-1-nitroso- (7CI,8CI); N-Benzyl-N-nitrosourea; N-Nitroso-N-benzylurea;N-Nitrosobenzylurea; NSC 67523
  • PSA 75.76000
  • LogP 1.94900

N-Benzylnitrosourea Chemical Properties

Product Name: N-Benzylnitrosourea (CAS NO.775-11-1)


Molecular Formula: C8H9N3O2
Molecular Weight: 179.20g/mol
Mol File: 775-11-1.mol
Boiling point: 318.1 °C at 760 mmHg
Flash Point: 146.2 °C
Density: 1.28 g/cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 55.95 kJ/mol
Vapour Pressure: 0.00037 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of N-Benzylnitrosourea (CAS NO.775-11-1):
  IUPAC Name: 1-benzyl-1-nitrosourea  
  Canonical SMILES: C1=CC=C(C=C1)CN(C(=O)N)N=O
  InChI: InChI=1S/C8H9N3O2/c9-8(12)11(10-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,12) 
  InChIKey: HBOGKXXMRLVGFX-UHFFFAOYSA-N

N-Benzylnitrosourea Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     MUREAV    Mutation Research. 68 (1979),1.
2.    

mma-sat 250 µg/plate

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),13.

N-Benzylnitrosourea Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

N-Benzylnitrosourea Specification

 N-Benzylnitrosourea , its CAS NO. is 775-11-1, the synonyms are 1-12-00-00465 (Beilstein Handbook Reference) ; BRN 0642551 ; Benzylnitrosourea ; CCRIS 4432 ; N-Benzyl-N-nitrosourea ; N-Nitroso-N-benzylurea ; NSC 67523 ; Nitrosobenzylurea ; Urea, N-nitroso-N-(phenylmethyl)- .

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