HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1,2-dichloro-4-iodo-
1,2-DICHLORO-4-IODOBENZENE · 3,4-DICHLOROIODOBENZENE · 4-Iodo-o-dichlorobenzene · 3,4-Dichlorophenyl iodide · 1,2-dichloro-4-iodo-benzen · 3,4-Dichloro-1-iodobenzene · 3,4-Dichloroiodobenzene 99% · 3,4-Dichloroiodobenzene,98%
Identifiers & Physical Properties
| CAS No. | 20555-91-3 |
|---|---|
| Molecular formula | C6H3Cl2I |
| Average molar mass | 272.89 g/mol |
| Monoisotopic mass | 271.86565346 g/mol |
| SMILES | Clc1ccc(I)cc1Cl |
| InChIKey | NADPFZNWCQIJJW-UHFFFAOYSA-N |
| PubChem CID | 88591 |
| EC No. | 243-874-0 |
| DTXSID | DTXSID9066625 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 97.1 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 27-29 °C (lit.) |
| Boiling point | 116-118 °C (12 mmHg) |
| Density | 1.9882 (estimate) |
| Refractive index | 1.6480 |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| Physical state | powder to lump to clear liquid |
| Color | White or Colorless to Yellow |
| Sensitivity | Light Sensitive |
| BRN | 2245136 |
| InChI | 1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H |
| InChIKey | NADPFZNWCQIJJW-UHFFFAOYSA-N |
| SMILES | Clc1ccc(I)cc1Cl |
| CAS DataBase Reference | 20555-91-3(CAS DataBase Reference) |
| FDA UNII | M6AU4ABW4L |
| EPA Substance Registry System | Benzene, 1,2-dichloro-4-iodo- (20555-91-3) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 37/39-26-36/37/39 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant/Light Sensitive |
| TSCA inventory status | TSCA listed |
| Customs code | 29039990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (68.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (68.4%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29039990 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Irritant/Light Sensitive |
| Safety statements (S) | 37/39-26-36/37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
3,4-Dichloroiodobenzene may be used in the preparation of:tetrachloromethoxybiphenyls 1-(3,4-dichlorophenyl)-2-trimethylsilylacetylene2-(3,4-dichlorocinnamyl)isoindoline-1,3-dione
General Description
3,4-Dichloroiodobenzene undergoes Stille coupling reaction with vinyltributyltin in the presence of Pd(0)precursors to furnish styrene derivative.