HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Iodobenzoyl chloride
SKL1215 · 2-iodo-benzoylchlorid · O-IODOBENZOYL CHLORIDE · 2-IODOBENZOYL CHLORIDE · 2-IodobenzoylChloride>Benzoyl chloride, 2-iodo- · 2-Iodobenzoylchloride,97% · 2-Iodobenzoic acid chloride · 9-(phenylmethyl)phenanthrene
Identifiers & Physical Properties
| CAS No. | 609-67-6 |
|---|---|
| Molecular formula | C7H4ClIO |
| Average molar mass | 266.46 g/mol |
| Monoisotopic mass | 265.89954043 g/mol |
| SMILES | O=C(Cl)c1ccccc1I |
| InChIKey | MVIVDSWUOGNODP-UHFFFAOYSA-N |
| PubChem CID | 69112 |
| EC No. | 210-196-1 |
| DTXSID | DTXSID4060573 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 138 |
| Chemical classes | Toxic Gases & Vapors -> Acid Halides |
| Physical Description | Off-white solidmp = 27-32 deg C[Alfa Aesar MSDS] |
| Melting point | 27-31 °C(lit.) |
| Boiling point | 105-106 °C1 mm Hg(lit.) |
| Density | 1.932 |
| Flash point | >110°C |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | soluble in TolueneReacts with water. |
| Physical state | powder to lump |
| Color | White to Light yellow to Dark green |
| Sensitivity | Moisture & Light Sensitive |
| BRN | 2042672 |
| InChI | 1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H |
| InChIKey | MVIVDSWUOGNODP-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccccc1I |
| CAS DataBase Reference | 609-67-6(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoyl chloride, 2-iodo- (609-67-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 21-19 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29163990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 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 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | 2-Iodobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | Reacts with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Adverse effects | Dermatotoxin - Skin burns. |
| F | 21-19 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29163990 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
2-Iodobenzoyl chloride has been used in palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-ones, preparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides.
Uses
2-Iodobenzoyl chloride has been used in:palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-onespreparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides