HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromoethyldiethylammonium bromide
(2-Bromo-ethyl)-diethyl-amine · 2-BROMOTRIETHYLAMINE HYDROBROMIDE · N,N-DIETHYLAMINOETHYL BROMIDE HBR · 2-BROMO-N,N-DIETHYLETHYLAMINE HBR · 2-bromoethyldiethylammonium bromide · 2-BROMOETHYLDIETHYLAMINE HYDROBROMIDE · DIETHYLAMINOETHYL BROMIDE HYDROBROMIDE · N N-DIETHYLAMINOETHYL BROMIDEHYDROBROMIDE
Identifiers & Physical Properties
| CAS No. | 1069-72-3 |
|---|---|
| Molecular formula | C6H15Br2N |
| Average molar mass | 261 g/mol |
| Monoisotopic mass | 258.95712368 g/mol |
| SMILES | Br.CCN(CC)CCBr |
| InChIKey | HLMHCDKXKXBKQK-UHFFFAOYSA-N |
| PubChem CID | 70607 |
| EC No. | 213-962-3 |
| DTXSID | DTXSID70147810 |
Chemical & Physical Properties
| Topological polar surface area | 3.2 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 43.8 |
| Melting point | 211-215 °C (dec.)(lit.) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | Soluble in water |
| Physical state | Crystalline Powder |
| Color | White to yellow |
| InChI | InChI=1S/C6H14BrN.BrH/c1-3-8(4-2)6-5-7/h3-6H2,1-2H31H |
| InChIKey | HLMHCDKXKXBKQK-UHFFFAOYSA-N |
| SMILES | N(CC)(CC)CCBr.Br |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H300-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T |
| Risk statements (R) | 25-37/38-41 |
| Safety statements (S) | 26-39-45 |
| UN transport number | UN 2811 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| Hazard class | 6.1Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Customs code | 29211999 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (97.5%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2811 6.1/PG 3 |
| Customs code | 29211999 |
| Risk statements (R) | 25-37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 26-39-45 |
| Hazard class | 6.1Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Target organs | Respiratory system |
| GHS hazard statements | H300-H315-H318-H335 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
2-Bromo-N,N-diethylethylamine hydrobromide is a useful synthetic intermediate. 2-Bromo-N,N-diethylethylamine hydrobromide is also used as a reagent to synthesize benzothiopyranoindazoles, compounds that have anticancer activity, specifically against murine leukemias.