HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Ethylbenzoyl chloride
SKL1319 · 4-Ethylbenzoyl · TIMTEC-BB SBB006540 · ETHYLBENZOYL CHLORIDE · P-ETHYLBENZOYL CHLORIDE · 4-ETHYLBENZOYL CHLORIDE · Benzoyl chloride, 4-ethyl- · 4-Ethylbenzoyl chloride,97%
Identifiers & Physical Properties
| CAS No. | 16331-45-6 |
|---|---|
| Molecular formula | C9H9ClO |
| Average molar mass | 168.62 g/mol |
| Monoisotopic mass | 168.03419259 g/mol |
| SMILES | CCc1ccc(C(=O)Cl)cc1 |
| InChIKey | AVTLLLZVYYPGFX-UHFFFAOYSA-N |
| PubChem CID | 85368 |
| EC No. | 240-404-6 |
| DTXSID | DTXSID80167564 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| 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 |
| SpringerMaterials Properties | Coriolis coupling |
| Boiling point | 235-236 °C(lit.) |
| Density | 1.147 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5479(lit.) |
| Flash point | >230 °F |
| Storage conditions | RT, stored under nitrogen |
| Physical state | Liquid |
| Specific gravity | 1.147 |
| Color | Clear light yellow to yellow |
| Sensitivity | Moisture Sensitive |
| BRN | 2206041 |
| InChI | 1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | AVTLLLZVYYPGFX-UHFFFAOYSA-N |
| SMILES | CCc1ccc(cc1)C(Cl)=O |
| CAS DataBase Reference | 16331-45-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Ethylbenzoyl chloride(16331-45-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34-36/37 |
| Safety statements (S) | 26-27-28-36/37/39-45-25 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29163900 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH301 (56.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 98 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (56.1%) |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29163900 |
| Risk statements (R) | 34-36/37 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-27-28-36/37/39-45-25 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Uses
4-Ethylbenzoyl chloride has been used in the preparation of:N-benzoyl-4-ethylbenzamideN-(4-diethylaminobenzoyl)-2-methoxybenzenesulfonamide
Uses
Intermediates of Liquid Crystals