Basic Information | Post buying leads | Suppliers |
Name |
5-Cyano-9,10-dimethyl-1,2-benzanthracene |
EINECS | N/A |
CAS No. | 63018-68-8 | Density | 1.2g/cm3 |
PSA | 23.79000 | LogP | 5.63468 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H15N | Boiling Point | 527°C at 760 mmHg |
Molecular Weight | 281.37 | Flash Point | 274.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx and CN−. See also CYANIDE. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Cyano-9,10-dimethyl-1,2-benzanthracene; |
Molecule structure of 5-Cyano-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-68-8):
IUPAC Name: 7,12-Dimethylbenzo[b]phenanthrene-8-carbonitrile
Molecular Weight: 281.3505 g/mol
Molecular Formula: C21H15N
Density: 1.2 g/cm3
Boiling Point: 527 °C at 760 mmHg
Flash Point: 274.8 °C
Index of Refraction: 1.731
Molar Refractivity: 93.23 cm3
Molar Volume: 233.2 cm3
Polarizability: 36.96×10-24 cm3
Surface Tension: 58.1 dyne/cm
Enthalpy of Vaporization: 80.15 kJ/mol
Vapour Pressure: 3.38E-11 mmHg at 25 °C
XLogP3-AA: 6.1
H-Bond Acceptor: 1
Exact Mass: 281.120449
MonoIsotopic Mass: 281.120449
Topological Polar Surface Area: 23.8
Heavy Atom Count: 22
Complexity: 460
Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC(=C14)C#N)C
InChI: InChI=1S/C21H15N/c1-13-18-11-10-15-6-3-4-8-19(15)21(18)14(2)17-9-5-7-16(12-22)20(13)17/h3-11H,1-2H3
InChIKey: SKUYSBCTPIYMFW-UHFFFAOYSA-N
Classification Code of 5-Cyano-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-68-8): Tumor data
Cyanide and its compounds are on the Community Right-To-Know List.
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx and CN−. See also CYANIDE.
5-Cyano-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-68-8) is also named as 4-09-00-02752 (Beilstein Handbook Reference) ; 7,12-Dimethylbenz(a)anthracene-8-carbonitrile ; BRN 3349877 ; Benz(a)anthracene, 8-cyano-7,12-dimethyl- .