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Cas Database |
| Name |
4'-Phenyl-o-acetotoluide |
EINECS | N/A |
| CAS No. | 63040-30-2 | Density | 1.103g/cm3 |
| PSA | 32.59000 | LogP | 4.26990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H15NO | Boiling Point | 398.2°C at 760 mmHg |
| Molecular Weight | 225.31 | Flash Point | 240.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Methyl-4-acetylaminobiphenyl;4'-Phenyl-o-acetotoluide;N-(3-methylbiphenyl-4-yl)acetamide;4-Acetamino-3-methyl-diphenyl;4-Acetamino-3-methyl-biphenyl;o-ACETOTOLUIDIDE,4'-PHENYL; |
Article Data | 9 |
4'-Phenyl-o-acetotoluide Chemical Properties
Molecule structure of 4'-Phenyl-o-acetotoluide (CAS NO.63040-30-2) :
IUPAC Name: N-(2-methyl-4-phenylphenyl)acetamide
Molecular Weight: 225.2857 g/mol
Molecular Formula: C15H15NO
Density: 1.103 g/cm3
Boiling Point: 398.2 °C at 760 mmHg
Flash Point: 240.2 °C
Molar Volume: 204 cm3
Polarizability: 27.72*10-24 cm3
Surface Tension: 42.8 dyne/cm
Enthalpy of Vaporization: 64.87 kJ/mol
Vapour Pressure: 1.5E-06 mmHg at 25 °C
XLogP3: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 225.115364
MonoIsotopic Mass: 225.115364
Topological Polar Surface Area: 29.1
Heavy Atom Count: 17
Complexity: 258
Canonical SMILES: CC1=C(C=CC(=C1)C2=CC=CC=C2)NC(=O)C
InChI: InChI=1S/C15H15NO/c1-11-10-14(13-6-4-3-5-7-13)8-9-15(11)16-12(2)17/h3-10H,1-2H3,(H,16,17)
InChIKey of 4'-Phenyl-o-acetotoluide (CAS NO.63040-30-2) : NWUDJMJMSSYCGT-UHFFFAOYSA-N
4'-Phenyl-o-acetotoluide Safety Profile
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
4'-Phenyl-o-acetotoluide Specification
4'-Phenyl-o-acetotoluide (CAS NO.63040-30-2) is also called 3-Methyl-4-acetylaminobiphenyl ; 4-12-00-03307 (Beilstein Handbook Reference) ; BRN 2806663 ; o-Acetotoluidide, 4'-phenyl- .
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