| Pack Size | Qty | Lead Time | Price | Quantity |
Lot Number
CAS #
*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
| IUPAC name | 1,3,5-trimethylbenzene |
| canonical smiles | CC1=CC(=CC(=C1)C)C |
| inchi | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
| inchi key | AUHZEENZYGFFBQ-UHFFFAOYSA-N |
| molecular formula | C9H12 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 120.19 g/mol |
| XLogP3: | 3.4 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 0 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 120.093900383 g/mol |
| Monoisotopic Mass: | 120.093900383 g/mol |
| Topological Polar Surface Area: | 0 Ų |
| Heavy Atom Count: | 9 |
| Formal Charge: | 0 |
| Complexity: | 55 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 |
| hazard statements | |
| hazards summary | A skin, eye, nose, throat and respiratory tract irritant. A skin, eye, and respiratory tract irritant. Defats the skin. May have effects on the central nervous system and blood. A skin, eye, and respiratory tract irritant. A nose, throat, and lung irritant. Inhalation of high concentrations can cause CNS depression. A respiratory tract irritant. See Trimethyl benzene isomers. |
