HuagongsheHuagongshe Chemistry Print Report · For research reference only
2(3H)-Furanone, 3-bromodihydro-
3-Bromodihydrofuran-2(3H)-one · α-Bromo-γ-butyrolactone · 3-Bromotetrahydrofuran-2-one · 3-Bromdihydrofuran-2(3H)-on · ALPHA-BROMO-GAMMA-BUTYROLACTONE · AKOS 23 · à-bromo- · NSC 11726
Identifiers & Physical Properties
| CAS No. | 5061-21-2 |
|---|---|
| Molecular formula | C4H5BrO2 |
| Average molar mass | 164.99 g/mol |
| Monoisotopic mass | 163.9472915 g/mol |
| SMILES | O=C1OCCC1Br |
| InChIKey | LFJJGHGXHXXDFT-UHFFFAOYSA-N |
| PubChem CID | 95463 |
| EC No. | 225-764-4 |
| DTXSID | DTXSID20884127 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 91.7 |
| Chemical classes | Other Classes -> Lactones |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Boiling point | 138 °C/6 mmHg (lit.) |
| Density | 1.786 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.508(lit.) |
| Flash point | >230 °F |
| Storage conditions | Inert atmosphere,2-8°C |
| Solubility | Acetone, Chloroform, Ethyl Acetate, Methanol |
| Physical state | Clear Colourless to Light Yellow Liquid |
| Specific gravity | 1.778 (20/4℃) |
| Appearance | Colorless to light yellow Liquid |
| Sensitivity | Moisture Sensitive/Lachrymatory |
| BRN | 107800 |
| InChI | InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2 |
| InChIKey | LFJJGHGXHXXDFT-UHFFFAOYSA-N |
| SMILES | O1CCC(Br)C1=O |
| CAS DataBase Reference | 5061-21-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2(3H)-Furanone, 3-bromodihydro-(5061-21-2) |
| EPA Substance Registry System | 2(3H)-Furanone, 3-bromodihydro- (5061-21-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN 2810 |
| Water hazard class (WGK) | 3 |
| F | 21 |
| Hazard Note | Irritant/Keep Cold/Lachrymatory/Moisture Sensitive |
| TSCA inventory status | TSCA listed |
| Customs code | 29322980 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards summary | A skin and strong eye irritant[Alfa Aesar MSDS] See Butyrolactone. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| F | 21 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2810 |
| Customs code | 29322980 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant/Keep Cold/Lachrymatory/Moisture Sensitive |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Lactams inhibit type Q arylesterase activity of human serum paraoxonase PON1.