HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-Methylphenyl)acetyl chloride
2-(4-Methylphenyl)acetyl chloride · P-TOLYL-ACETYL CHLORIDE · p-Tolylacetylchloride,97+% · Benzeneacetyl chloride, 4-methyl-
Identifiers & Physical Properties
| CAS No. | 35675-44-6 |
|---|---|
| Molecular formula | C9H9ClO |
| Average molar mass | 168.62 g/mol |
| Monoisotopic mass | 168.0341926 g/mol |
| SMILES | Cc1ccc(CC(=O)Cl)cc1 |
| InChIKey | QDZAWVLWIMOXJT-UHFFFAOYSA-N |
| PubChem CID | 2760634 |
| EC No. | 673-227-1 |
| DTXSID | DTXSID90375274 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 136 |
| Boiling point | 115℃/7.5mm |
| Physical state | Liquid |
| Color | Pink |
| Sensitivity | Moisture Sensitive |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| UN transport number | UN3265 |
| Hazard class | 8 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (16.7%)Acute Tox. 4 (50%)Acute Tox. 4 (16.7%)Skin Corr. 1B (83.3%)Eye Dam. 1 (50%)STOT SE 3 (16.7%) |
| UN transport number | UN3265 |
| Risk statements (R) | 22 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xn |
| Hazard class | 8 |
| GHS hazard statements | H314-H318 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
P-tolyl-acetyl chloride is an organic synthesis intermediate, mainly used in the field of pharmaceutical research and development.