HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromobenzyl alcohol
(3-Bromophenyl)methanol · RARECHEM AL BD 0052 · M-BROMOBENZYL ALCOHOL · 3-BROMOBENZYL ALCOHOL · 3-Bromobenzenemethanol · 3-Bromobenzyl alcohol 98% · Benzenemethanol, 3-bromo- · 3-Bromobenzyl alcohol,99%
Identifiers & Physical Properties
| CAS No. | 15852-73-0 |
|---|---|
| Molecular formula | C7H7BrO |
| Average molar mass | 187.03 g/mol |
| Monoisotopic mass | 185.96803 g/mol |
| SMILES | OCc1cccc(Br)c1 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| PubChem CID | 85141 |
| ChEMBL | CHEMBL2323842 |
| EC No. | 239-975-4 |
| DTXSID | DTXSID70166440 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 85 |
| Melting point | 110-112 |
| Boiling point | 165 °C16 mm Hg(lit.) |
| Density | 1.56 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.584(lit.) |
| Flash point | >230 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Slightly soluble in water |
| Physical state | clear liquid |
| pKa (acidity coefficient) | 14.28±0.10(Predicted) |
| Color | Colorless to Light yellow to Light orange |
| Specific gravity | 1.560 |
| BRN | 2242512 |
| InChI | InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC(Br)=C1 |
| CAS DataBase Reference | 15852-73-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Bromobenzyl alcohol(15852-73-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 29062900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Benzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Irrit. 2 (60%)Eye Irrit. 2A (60%)STOT SE 3 (60%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29062900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.