HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brompropan-1-ol
3-Bromopropanol · 1-Bromo-3-propanol · 1-Propanol, 3-bromo- · TRIMETHYLENE BROMOHYDRIN · 1-Bromo-3-hydroxypropane · 3-bromoethanol · 3-bromo-1-propano · 3-BROMO-1-PROPANOL
Identifikatoren & physikalische Daten
| CAS No. | 627-18-9 |
|---|---|
| Summenformel | C3H7BrO |
| Durchschnittliche Molmasse | 138,99 g/mol |
| Monoisotopische Masse | 137,96802694 g/mol |
| SMILES | OCCCBr |
| InChIKey | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| PubChem CID | 12308 |
| ChEMBL | CHEMBL466545 |
| ChEBI | CHEBI:144333 |
| EC No. | 210-986-6 |
| DTXSID | DTXSID3024657 |
| Lokaler Name | 3-Brompropan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 16,4 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| SpringerMaterials Properties | Density |
| Dichte | 1.5374 at 68 °F (NTP, 1992) - Denser than waterwill sink1.537 g/mL at 25 °C (lit.) |
| Löslichkeit | 50 to 100 mg/mL at 70 °F (NTP, 1992)167g/l167 g/L (20 ºC) |
| Flammpunkt | 201 °F (NTP, 1992)215 °F |
| Siedepunkt | 293 to 298 °F at 760 mmHg (NTP, 1992)62 °C/5 mmHg (lit.) |
| Dampfdruck | 0.1 [mmHg]0.13 hPa (20 °C) |
| Physical Description | 3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)Clear colorless liquid[CAMEO] |
| Brechungsindex | n20/D 1.488(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.65±0.10(Predicted) |
| Wichte | 1.60 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 969160 |
| Henry-Konstante | 8.2×100 mol/(m3Pa) at 25℃, Modarresi et al. (2007) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2 |
| InChIKey | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| SMILES | OCCCBr |
| CAS Datenbank | 627-18-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanol, 3-bromo-(627-18-9) |
| EPA chemische Informationen | 3-Bromo-1-propanol (627-18-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (78.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanol, 3-bromo-3-Bromo-1-propanol: Does not have an individual approval but may be used under an appropriate group standard |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Related compounds are eye, skin, and mucous membrane irritants and cause severe lung injury if aspirated. |
| Gefahrenübersicht | Skin irritant[Quick CPC] Can cause severe lung injury if aspirated[CAMEO] An irritant that may cause serious eye injuryHarmful by ingestion[Aldrich MSDS] See 1-Chloro-2-propanol. |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 3-BROMO-1-PROPANOL may be sensitive to prolonged exposure to light. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (78.4%) |
| Brandbekämpfung | It is combustible. Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.