| Pubchem ID | 241 |
|---|---|
| CAS | 71-43-2 |
| IUPAC name | benzene |
| Synonyms | Benzol|Cyclohexatriene|benzole|Pyrobenzole|Benzine|Benzen|Phenyl hydride|Pyrobenzol|Phene|Mineral naphtha|Coal naphtha|Bicarburet of hydrogen|Benzolene|Benzin|Motor benzol|Carbon oil|Benzeen|Benzolo|Fenzen|Nitration benzene |
| Categories | Preservative |
| SMILES | C1=CC=CC=C1 |
| InCheykey | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
| Natural | nan |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 78.114 | 0 | 0 | 0 | 0.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |