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65445-61-6

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Basic Information
CAS No.: 65445-61-6
Name: 4-Chloro-N-nitrosopiperidine
Article Data: 2
Molecular Structure:
Molecular Structure of 65445-61-6 (4-Chloro-N-nitrosopiperidine)
Formula: C5H9 Cl N2 O
Molecular Weight: 148.592
Synonyms: 4-Chloro-N-nitrosopiperidine;4-Chloronitrosopiperidine
Density: 1.3161 (rough estimate)
Safety: Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.
PSA: 32.67000
LogP: 1.30890
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Chemistry

Product Name: 4-Chloronitrosopiperidine (CAS NO.65445-61-6)


Molecular Formula: C5H9ClN2O
Molecular Weight: 148.61g/mol
Mol File: 65445-61-6.mol
Boiling point: 293.7 °C at 760 mmHg
Flash Point: 131.4 °C
Density: 1.39 g/cm3
Surface Tension: 48.7 dyne/cm
Enthalpy of Vaporization: 51.2 kJ/mol
Vapour Pressure: 0.00297 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of 4-Chloronitrosopiperidine (CAS NO.65445-61-6):
  IUPAC Name: 4-Chloro-1-nitrosopiperidine
  Canonical SMILES: C1CN(CCC1Cl)N=O
  InChI: InChI=1S/C5H9ClN2O/c6-5-1-3-8(7-9)4-2-5/h5H,1-4H2 
  InChIKey: NSWBTWAHSWWHDN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 1 µmol/plate

     MUREAV    Mutation Research. 56 (1977),131.
2.    

sln-dmg-orl 5 mmol/L/24H

     MUREAV    Mutation Research. 67 (1979),27.
3.    

sce-hmn:lym 1 mmol/L

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),129.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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

Specification

 4-Chloronitrosopiperidine , its CAS NO. is 65445-61-6, the synonyms are 4-Chloro-N-nitrosopiperidine ; BRN 1563439 ; N-Nitroso-4-chloropiperidine ; Piperidine, 4-chloro-1-nitroso- .