HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1-iodo-3-methoxy-
1-IODO-3-METHOXYBENZENE · M-IODOANISOLE · 3-METHOXYIODOBENZENE · NSC 60726 · Bis-(6α3-IODOANISOLE · 3-lodoanisole · Anisole, m-iodo- · 3-Iodoanisole>3-Iodoanisole 98%
Identifiers & Physical Properties
| CAS No. | 766-85-8 |
|---|---|
| Molecular formula | C7H7IO |
| Average molar mass | 234.03 g/mol |
| Monoisotopic mass | 233.95416284 g/mol |
| SMILES | COc1cccc(I)c1 |
| InChIKey | RSHBAGGASAJQCH-UHFFFAOYSA-N |
| PubChem CID | 69839 |
| EC No. | 212-173-1 |
| DTXSID | DTXSID6061105 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 85 |
| SpringerMaterials Properties | Molecular structure |
| Melting point | 94 °C |
| Boiling point | 244-245 °C (lit.) |
| Density | 1.965 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.613(lit.) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | Liquid |
| Specific gravity | 1.965 |
| Color | Clear yellow |
| Solubility | Soluble in chloroform, alcohol, ether. Insoluble in water. |
| Sensitivity | Light Sensitive |
| BRN | 1858896 |
| InChI | 1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | RSHBAGGASAJQCH-UHFFFAOYSA-N |
| SMILES | COc1cccc(I)c1 |
| CAS DataBase Reference | 766-85-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Iodoanisole(766-85-8) |
| EPA Substance Registry System | Benzene, 1-iodo-3-methoxy- (766-85-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36 |
| Safety statements (S) | 26-24/25 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Light Sensitive |
| TSCA inventory status | TSCA listed |
| Customs code | 29093090 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
Safety & Regulations
| GHS classification | WarningH302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (89.1%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29093090 |
| Risk statements (R) | 22-36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Light Sensitive |
| Safety statements (S) | 26-24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H302-H319 |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
Applications & Uses
Uses
3-Iodoanisole is used to produce 3,3'-Dimethoxy-biphenyl. It can be used in agrochemical, pharmaceutical and dyestuff field.