HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Butylanilin
4-N-BUTYLANILINE · P-BUTYLANILINE · 4-BUTYLANILINE · 4-butyl-anilin · 4-N-Butyaniline · Butylaniline,98% · P-N-BUTYLANILINE · Aniline, p-butyl-
Identifikatoren & physikalische Daten
| CAS No. | 104-13-2 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CCCCc1ccc(N)cc1 |
| InChIKey | OGIQUQKNJJTLSZ-UHFFFAOYSA-N |
| PubChem CID | 7694 |
| ChEMBL | CHEMBL3181902 |
| EC No. | 203-177-4 |
| DTXSID | DTXSID8021856 |
| Lokaler Name | 4-Butylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 93 |
| Collision Cross Section | 149.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8021856] |
| Schmelzpunkt | -14°C |
| Siedepunkt | 133-134 °C14 mm Hg(lit.) |
| Dichte | 0.945 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.535(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.91±0.10(Predicted) |
| Farbe | Clear yellow to slightly brown |
| BRN | 1447268 |
| InChI | InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3 |
| InChIKey | OGIQUQKNJJTLSZ-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(CCCC)C=C1 |
| CAS Datenbank | 104-13-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-butyl-(104-13-2) |
| EPA chemische Informationen | p-Butylaniline (104-13-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (85.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-butyl-Benzenamine, 4-butyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (85.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214980 |
| RTECS-Nr. | BW9470000 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Toxizität | mouse,LD50,intraperitoneal,81mg/kg (81mg/kg),Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974. |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Butylaniline is used in the fabrication of RP/ion-exchange, mixed-mode, monolithic materials for capillary LC.