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3-Brombenzylalkohol
(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%
Identifikatoren & physikalische Daten
| CAS No. | 15852-73-0 |
|---|---|
| Summenformel | C7H7BrO |
| Durchschnittliche Molmasse | 187,03 g/mol |
| Monoisotopische Masse | 185,96803 g/mol |
| SMILES | OCc1cccc(Br)c1 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| PubChem CID | 85141 |
| ChEMBL | CHEMBL2323842 |
| EC No. | 239-975-4 |
| DTXSID | DTXSID70166440 |
| Lokaler Name | 3-Brombenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 110-112 |
| Siedepunkt | 165 °C16 mm Hg(lit.) |
| Dichte | 1.56 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.584(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.28±0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 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 Datenbank | 15852-73-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Bromobenzyl alcohol(15852-73-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.