HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane
TETRABROMOBISPHENOL A BIS(2-HYDROXYETHYL) ETHER · BA 50 · AFR 1011 · Fire Guard 3600 · LABOTEST-BB LT00159661 · ETHOXYLATEDTETRABROMOBISPHENOLA · TBBPA bis(2-hydroxyethyl ether) · tetrabromobisphenol-a-bisethoxylate
Identifiers & Physical Properties
| CAS No. | 4162-45-2 |
|---|---|
| Molecular formula | C19H20Br4O4 |
| Average molar mass | 632 g/mol |
| Monoisotopic mass | 627.80951 g/mol |
| SMILES | CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1 |
| InChIKey | RVHUMFJSCJBNGS-UHFFFAOYSA-N |
| PubChem CID | 20113 |
| ChEMBL | CHEMBL216852 |
| EC No. | 224-005-4 |
| DTXSID | DTXSID4038922 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 58.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 391 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Melting point | 107 °C(lit.) |
| Boiling point | 582.1±50.0 °C(Predicted) |
| Density | 1.8110 (rough estimate) |
| Refractive index | 1.5000 (estimate) |
| Storage conditions | Hygroscopic, Refrigerator, under inert atmosphere |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 13.76±0.10(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
| Henry's law constant | 5.6×107 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Stability | Hygroscopic |
| InChI | 1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3 |
| InChIKey | RVHUMFJSCJBNGS-UHFFFAOYSA-N |
| SMILES | CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2 |
| CAS DataBase Reference | 4162-45-2(CAS DataBase Reference) |
| FDA UNII | Y6AMX5NV4O |
| EPA Substance Registry System | Tetrabromobisphenol A bis(2-hydroxyethyl) ether (4162-45-2) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| UN transport number | 3152 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29094990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatory information | Chemical: Ethanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-Hazard Traits - CarcinogenicityEndocrine ToxicityT - indicates a substance that is the subject of a final TSCA section 4 test rule. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%)Hazardous to the aquatic environment (Acute) - Category 1 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | 3152 |
| Customs code | 29094990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Hazard class | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group |
Applications & Uses
Uses
4,4''-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] is a brominated flame retardant.