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Cas Database |
| Name |
Methanone,(4-isocyanophenyl)phenyl- |
EINECS | N/A |
| CAS No. | 3128-83-4 | Density | N/A |
| PSA | 17.07000 | LogP | 2.69910 |
| Solubility | N/A | Melting Point |
79-84 °C |
| Formula | C14H9NO | Boiling Point | N/A |
| Molecular Weight | 207.232 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenylisocyanide, p-benzoyl- (7CI,8CI);(4-Isocyanophenyl)(phenyl)methanone;p-Benzoylphenyl isocyanide;Phenyl isocyanide, p-benzoyl-; |
Article Data | 3 |
Methanone,(4-isocyanophenyl)phenyl- Specification
The CAS registry number of Methanone,(4-isocyanophenyl)phenyl- is 3128-83-4. The IUPAC name is (4-isocyanophenyl)-phenylmethanone. In addition, the molecular formula is C14H9NO and the molecular weight is 207.23. It should be stored in a cool and dry place.
Physical properties about Methanone,(4-isocyanophenyl)phenyl- are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 21.43 Å2; (4)XLogP3: 3.1; (5)H-Bond Acceptor: 2; (6)Rotatable Bond Count: 2; (7)Exact Mass: 207.068414; (8)MonoIsotopic Mass: 207.068414; (9)Topological Polar Surface Area: 21.4; (10)Heavy Atom Count: 16; (11)Complexity: 287; (12)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]c2ccc(C(=O)c1ccccc1)cc2
(2)InChI: InChI=1/C14H9NO/c1-15-13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H
(3)InChIKey: ZCMYAXFQPGJROP-UHFFFAOYAA
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