HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorbutan-1-ol
4-chlorobutan-1-ol · 4-CHLOROBUTANOL · oro-1-butanoL · 4-Chlorolbutanol · 4-Choro-1-bytanol · 4-chloro-1-butano · 4-Chlorbutan-1-ol · 4-CHLOROBUTANOL-1
Identifikatoren & physikalische Daten
| CAS No. | 928-51-8 |
|---|---|
| Summenformel | C4.H9.Cl.O |
| Durchschnittliche Molmasse | 108,57 g/mol |
| Monoisotopische Masse | 108,03419259 g/mol |
| SMILES | OCCCCCl |
| InChIKey | HXHGULXINZUGJX-UHFFFAOYSA-N |
| PubChem CID | 13569 |
| ChEMBL | CHEMBL2260957 |
| ChEBI | CHEBI:87310 |
| EC No. | 213-175-5 |
| DTXSID | DTXSID2061301 |
| Lokaler Name | 4-Chlorbutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23,5 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 0.85 |
| Dichte | 1.088 @ 20°C1.088 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.35 [mmHg] |
| Physical Description | Clear colorless liquidContains <= 12% hydrochloric acid (CAS# 7647-01-0) and <= 3% tetrahydrofuran (CAS# 109-99-9)[Sigma-Aldrich MSDS] |
| Siedepunkt | 84-85 °C/16 mmHg (lit.) |
| Brechungsindex | n20/D 1.453(lit.) |
| Flammpunkt | 97 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in methanol, chloroform, and dimethyl sufoxide. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.01±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| BRN | 1731408 |
| InChI | InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2 |
| InChIKey | HXHGULXINZUGJX-UHFFFAOYSA-N |
| SMILES | C(O)CCCCl |
| CAS Datenbank | 928-51-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloro-1-butanol(928-51-8) |
| EPA chemische Informationen | 1-Butanol, 4-chloro- (928-51-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes muscle contraction or spasticity, ulceration or bleeding from the stomach, and other liver changes in oral lethal-dose studies of mice[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestionTargets the CNS, liver, and kidney[Sigma-Aldrich MSDS] See 1-Chloro-2-propanol and 2-Chloro-1-propanol. |
| Hazard Classes and Categories | Flam. Liq. 3 (91.7%) |
| Protective Action Criteria (PAC) | 1.6 [mg/m3]18 [mg/m3]110 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29055910 |
| RTECS-Nr. | EL1325000 |
| R-Sätze (R) | 10-22-36/37/38-20/21/22-34-40 |
| Gefahrensymbole | Xn,C,F |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 23-24/25-36/37/39-26-16-36/37 |
Anwendungen & Verwendung
Verwenden
4-Chloro-1-butanol is employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique.