HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromopropene
2-BROMO-1-PROPENE · 2-bromo-propen · ISOPROPENYL BROMIDE · Isopropylene bromide · CH3CBr=CH2 · 2-Bromopropene · 2-Brom-1-propen · Bromopropene,90%
Identifiers & Physical Properties
| CAS No. | 557-93-7 |
|---|---|
| Molecular formula | C3H5Br |
| Average molar mass | 120.98 g/mol |
| Monoisotopic mass | 119.95746226 g/mol |
| SMILES | C=C(C)Br |
| InChIKey | PHMRPWPDDRGGGF-UHFFFAOYSA-N |
| PubChem CID | 11202 |
| EC No. | 209-185-4 |
| DTXSID | DTXSID8060325 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 30.3 |
| Chemical classes | Other Classes -> Halogenated Aliphatics, Unsaturated |
| SpringerMaterials Properties | Coriolis coupling |
| Physical Description | Colorless liquid with a pungent odor[Alfa Aesar MSDS] |
| Melting point | -87°C |
| Boiling point | 47-49 °C (lit.) |
| Density | 1.362 g/mL at 25 °C (lit.) |
| Vapor pressure | 5.05 psi ( 20 °C) |
| Refractive index | n20/D 1.4436(lit.) |
| Flash point | 40 °F |
| Storage conditions | 2-8°C |
| Physical state | Liquid |
| Color | Clear colorless to yellow |
| Solubility | Immiscible with water. |
| Sensitivity | Light Sensitive |
| BRN | 1731926 |
| Stability | Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C3H5Br/c1-3(2)4/h1H2,2H3 |
| InChIKey | PHMRPWPDDRGGGF-UHFFFAOYSA-N |
| SMILES | CC(Br)=C |
| LogP (partition coefficient) | 2.07 |
| CAS DataBase Reference | 557-93-7(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | C8GT7P5ZZS |
| EPA Substance Registry System | 1-Propene, 2-bromo- (557-93-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H225-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves |
| Hazard symbols | F,Xi |
| Risk statements (R) | 11-36/37/38 |
| Safety statements (S) | 23-26-36-37/39-16 |
| UN transport number | UN 1993 3/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | UC7085000 |
| F | 8-10 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29033990 |
| Storage class | 3 - Flammable liquids |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 30-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30422 |
| Hazards summary | A skin and strong eye irritant[Alfa Aesar MSDS] See 2-Chloro-1-propene. See 1-Bromopropane. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Adverse effects | Neurotoxin - Acute solvent syndrome |
| F | 8-10 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | UC7085000 |
| UN transport number | UN 1993 3/PG 2 |
| Customs code | 29033990 |
| Risk statements (R) | 11-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | F,Xi |
| Safety statements (S) | 23-26-36-37/39-16 |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H225-H315-H319-H335 |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Bromopropene is used as a solvent and as an intermediate for organic synthesis. It is also used as a fumigant. Further, it reacts with nonanal to prepare 2-methyl-undec-1-en-3-ol using chromium(II) chloride as a reagent. It is utilized as a refrigerant used in organic synthesis.