HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2'-Dibromo-1,1'-binaphthyl
2,2'-Dibromo-1,1'-binaphthalene · SKL192 · JACS-74866-28-7 · Binaphthalene dibromide · 2,2'-diboromo-binaphthyl · 2,2`-DibroMo-1,1`-Binaphtyl · 1,1'-Bi(2-bromonaphthalene) · 2,2'-Dibromo-1,1'-binapthyl
Identifiers & Physical Properties
| CAS No. | 74866-28-7 |
|---|---|
| Molecular formula | C20H12Br2 |
| Average molar mass | 412.1 g/mol |
| Monoisotopic mass | 409.93058 g/mol |
| SMILES | Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12 |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| PubChem CID | 619909 |
| EC No. | 626-733-1 |
| DTXSID | DTXSID60347302 |
Chemical & Physical Properties
| XLogP | 7.4 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 346 |
| Melting point | 178-183 °C |
| Boiling point | 178-183°C |
| Density | 1.614±0.06 g/cm3(Predicted) |
| Flash point | 178-183°C |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | soluble in TolueneSparingly Soluble in water. |
| Physical state | Powder |
| Color | white to off-white |
| InChI | 1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| SMILES | Brc1ccc2ccccc2c1-c3c(Br)ccc4ccccc34 |
| CAS DataBase Reference | 74866-28-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H413 |
| GHS precautionary statements | P273-P301+P312+P330 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 26-36/37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 2903.99.8001 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 4 |
Safety & Regulations
| GHS classification | WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H413 (88.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.6%)Skin Irrit. 2 (11.4%)Eye Irrit. 2 (11.4%)Aquatic Chronic 4 (88.6%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2903.99.8001 |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36/37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H413 |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 4 |
| GHS precautionary statements | P273-P301+P312+P330 |
Applications & Uses
Uses
The synthesis of this class of compounds relies on the lithiation of racemic 2,2'-dibromo-1,1'-binaphthyl with t-BuLi followed by addition of Ph 2 PCl.