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CAS No.: | 10125-76-5 |
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Name: | 4-nitrosobiphenyl |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H9 N O |
Molecular Weight: | 183.21 |
Synonyms: | Biphenyl,4-nitroso- (6CI,7CI,8CI); 1-Nitroso-4-phenylbenzene; 4-Nitrosobiphenyl;p-Nitrosobiphenyl |
Density: | 1.07g/cm3 |
Melting Point: | 84 °C |
Boiling Point: | 319.8°Cat760mmHg |
Flash Point: | 130.8°C |
Safety: | Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. |
PSA: | 29.43000 |
LogP: | 3.75150 |
Molecule structure of 4-Nitrosobiphenyl (CAS NO.10125-76-5):
IUPAC Name: 1-Nitroso-4-phenylbenzene
Molecular Weight: 183.20596 g/mol
Molecular Formula: C12H9NO
Density: 1.07 g/cm3
Boiling Point: 319.8 °C at 760 mmHg
Flash Point: 130.8 °C
Index of Refraction: 1.578
Molar Refractivity: 56.65 cm3
Molar Volume: 170.6 cm3
Polarizability: 22.45×10-24 cm3
Surface Tension: 41.5 dyne/cm
Enthalpy of Vaporization: 53.9 kJ/mol
Vapour Pressure: 0.00062 mmHg at 25 °C
XLogP3: 3.4
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 183.068414
MonoIsotopic Mass: 183.068414
Topological Polar Surface Area: 29.4
Heavy Atom Count: 14
Complexity: 179
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N=O
InChI: InChI=1S/C12H9NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey of 4-Nitrosobiphenyl (CAS NO.10125-76-5): LLRWRZXFCFYZCL-UHFFFAOYSA-N
1. | mmo-sat 5500 nmol/L | ENMUDM Environmental Mutagenesis. 3 (1981),11. | ||
2. | dns-rat:lvr 5 µmol/L | ENMUDM Environmental Mutagenesis. 3 (1981),11. |
EPA Genetic Toxicology Program.
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
4-Nitrosobiphenyl (CAS NO.10125-76-5) is also named as 1,1'-Biphenyl, 4-nitroso- ; 4-05-00-01823 (Beilstein Handbook Reference) ; 4-Nitroso-1,1'-biphenyl ; BRN 1940223 ; CCRIS 2151 ; Biphenyl, 4-nitroso- ; p-Nitrosobiphenyl .