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114119-92-5

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Basic Information
CAS No.: 114119-92-5
Name: N-nitroso-N(2)-fluorenylacetamide
Molecular Structure:
Molecular Structure of 114119-92-5 (N-nitroso-N(2)-fluorenylacetamide)
Formula: C15H12 N2 O2
Molecular Weight: 252.29
Synonyms: N-Nitroso-2-(acetylamino)fluorene;N-Nitroso-N-2-fluorenylacetamide
Density: 1.27g/cm3
Boiling Point: 427.1°Cat760mmHg
Flash Point: 212.1°C
Safety: Questionable carcinogen with expermental carcinogenic data reported. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 49.74000
LogP: 3.29210
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Chemistry

Molecule structure of N-9H-Fluoren-2-yl-N-nitrosoacetamide (CAS NO.114119-92-5):

IUPAC Name: N-(9H-Fluoren-2-yl)-N-nitrosoacetamide 
Molecular Weight: 252.26798 g/mol
Molecular Formula: C15H12N2O2 
Density: 1.27 g/cm3 
Boiling Point: 427.1 °C at 760 mmHg 
Flash Point: 212.1 °C
Index of Refraction: 1.654
Molar Refractivity: 72.55 cm3
Molar Volume: 197.7 cm3
Polarizability: 28.76×10-24 cm3
Surface Tension: 50.3 dyne/cm
Enthalpy of Vaporization: 68.21 kJ/mol
Vapour Pressure: 1.68E-07 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 252.089878
MonoIsotopic Mass: 252.089878
Topological Polar Surface Area: 49.7
Heavy Atom Count: 19
Complexity: 371
Canonical SMILES: CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)N=O
InChI: InChI=1S/C15H12N2O2/c1-10(18)17(16-19)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3
InChIKey of N-9H-Fluoren-2-yl-N-nitrosoacetamide (CAS NO.114119-92-5): PRSSHMQSXCSJIQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 100 ng/plate

     MUREAV    Mutation Research. 201 (1988),117.
2.    

cyt-ham-ovr 100 µmol/L

     MUREAV    Mutation Research. 265 (1992),203.

Safety Profile

Questionable carcinogen with expermental carcinogenic data reported. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 N-9H-Fluoren-2-yl-N-nitrosoacetamide (CAS NO.114119-92-5) is also named as CCRIS 4398 ; N-Nitroso-2-acetylaminofluorene ; N-Nitroso-N-2-fluorenylacetamide ; Acetamide, N-9H-fluoren-2-yl-N-nitroso- .