HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromopropan-1-ol
2-Bromo-1-propanol · 2-bromopropan-1-ol · 2-Bromopropan-1-ol - [B70312] · 1-Propanol, 2-bromo-(6CI,8CI,9CI) · 2-bromopropan-1-ol ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 598-18-5 |
|---|---|
| Molecular formula | C3H7BrO |
| Average molar mass | 138.99 g/mol |
| Monoisotopic mass | 137.96802694 g/mol |
| SMILES | CC(Br)CO |
| InChIKey | DBTWOTKWIVISQR-UHFFFAOYSA-N |
| PubChem CID | 11713 |
| EC No. | 209-921-4 |
| DTXSID | DTXSID80975207 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 22.9 |
| Boiling point | 64-65 °C(Press: 25 Torr) |
| Density | 1.5551 g/cm3(Temp: 30 °C) |
| Storage conditions | Hygroscopic, Refrigerator, under inert atmosphere |
| Solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pKa (acidity coefficient) | 13.89±0.10(Predicted) |
| Physical state | Oil |
| Color | Colourless |
| InChI | InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3 |
| InChIKey | DBTWOTKWIVISQR-UHFFFAOYSA-N |
| SMILES | C(O)C(Br)C |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H335-H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| GHS hazard statements | H226-H335-H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
2-Bromo-1-propanol is used in the epoxide productions from Flavobacterium.