HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethanone, 1-(3-iodophenyl)-
1-(3-iodophenyl)ethan-1-one · 3'-IODOACETOPHE · 3'-Iodoacetophenone · 3-iodobenzenethylone · 3-Acetyl-1-iodobenzene · 3''-IODOACETOPHENONE 99% · 1-(3-Iodophenyl)ethanone · 1-(3-iodophenyl)-ethanon
Identifiers & Physical Properties
| CAS No. | 14452-30-3 |
|---|---|
| Molecular formula | C8H7IO |
| Average molar mass | 246.04 g/mol |
| Monoisotopic mass | 245.95416284 g/mol |
| SMILES | CC(=O)c1cccc(I)c1 |
| InChIKey | IWLHOUBDKCKJJQ-UHFFFAOYSA-N |
| PubChem CID | 84449 |
| EC No. | 627-958-8 |
| DTXSID | DTXSID5065770 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 133 |
| SpringerMaterials Properties | Optical coefficient |
| Melting point | 25 °C |
| Boiling point | 98°C 1mm |
| Density | 1.767 g/mL at 25 °C |
| Refractive index | n/D 1.6247 |
| Flash point | 110 °C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | Orange |
| Specific gravity | 1.78 |
| InChI | 1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
| InChIKey | IWLHOUBDKCKJJQ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(I)c1 |
| CAS DataBase Reference | 14452-30-3(CAS DataBase Reference) |
| EPA Substance Registry System | Ethanone, 1-(3-iodophenyl)- (14452-30-3) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H318 |
| GHS precautionary statements | P280-P301+P312+P330-P305+P351+P338+P310 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,C,Xn |
| Risk statements (R) | 36/37/38-41-22 |
| Safety statements (S) | 26-36/37/39-39-24/25-22 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Customs code | 2914790090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | DangerH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.3%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 2914790090 |
| Risk statements (R) | 36/37/38-41-22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi,C,Xn |
| Safety statements (S) | 26-36/37/39-39-24/25-22 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H318 |
| GHS precautionary statements | P280-P301+P312+P330-P305+P351+P338+P310 |
Applications & Uses
Uses
3''-Iodoacetophenone is a reagent used in the synthesis of sulfonamide derivative containing dihydropyrazole moieties as an inhibitor of MMP-2/MMP-9.