Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 138265Erstellt: 26. Oktober 2026

2-Butoxyaniline

NSC 55075 · AKOS BBB/406 · AKOS BC-2531 · 2-Butoxyaniline · o-Butoxyaniline · 2-Butoxybenzenamine · 2-BUTOXY-PHENYLAMINE · Benzenamine, 2-butoxy-

https://huagongshe.com/de/chemical/138265

Molekülstruktur von 2-Butoxyaniline

Identifikatoren & physikalische Daten

CAS No.4469-81-2
SummenformelC10H15NO
Durchschnittliche Molmasse165,23 g/mol
Monoisotopische Masse165,1153641 g/mol
SMILESCCCCOc1ccccc1N
InChIKeyIRTONKUCLPTRNS-UHFFFAOYSA-N
PubChem CID138265
ChEMBLCHEMBL1741956
EC No.806-255-1
DTXSIDDTXSID20196277

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)35,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen4
Schwere Atome12
Formalladung0
Komplexität116
SpringerMaterials PropertiesChemical shift
Siedepunkt129 °C(Press: 11 Torr)
Dichte0.999±0.06 g/cm3(Predicted)
Aggregatzustandsolid
pKa (Säurekonstante)4.49±0.10(Predicted)
InChI1S/C10H15NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3
InChIKeyIRTONKUCLPTRNS-UHFFFAOYSA-N
SMILESCCCCOc1ccccc1N

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (97.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)WGK 3
Zollcode2922290090
R-Sätze (R)20/21/22-36/37/38-50/53
GefahrensymboleXi,N,Xn
Sicherheitshinweise (S)26-36/37-61
GefahrenklasseIRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse11 - Combustible Solids