o-Butyl-anilin

o-Butyl-aniline

HCID 75909

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Grundinformationen

CAS: 2696-85-7
Standard-SMILES: CCCCc1ccccc1N
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
Summenformel: C10H15N
Durchschnittliche Molmasse: 149,23 g/mol
Monoisotopische Masse: 149,12044948

Namen und Bezeichner

Bevorzugter Name: o-Butyl-aniline
IUPAC: 2-butylaniline
Lokaler Name: o-Butyl-anilin
Englischer Name: 2-N-BUTYLANILINE
Summenformel: C10H15N
Molmasse: 149.23

Namen und Synonyme

2-Butylaniline2696-85-7o-Butyl-anilineDTXSID60181445EINECS 220-272-6RefChem:855213DTXCID70103936220-272-6Benzenamine, 2-butyl-2-N-butylanilineo-aminobutylbenzene2-butyl aniline

Weitere Namen anzeigen

Butylaniline2-Butylaniline>2-butylbenzeneamine(2-butylphenyl)amine2-N-BUTYLANILINE 95+%

Amino-ButylbenzoleMFCD00130033SCHEMBL44325CHEBI:190986AKOS006221873AS-56562CS-03130342-butylbenzenamine

Datenbank-Bezeichner

CAS: 2696-85-7
PubChem CID: 75909
DTXSID: DTXSID60181445
ChEBI: CHEBI:190986
UNII: 4V8L59L584
EC Number: 220-272-6
Nikkaji: J153.241C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1390

2076

Physikochemische Eigenschaften

Siedepunkt: 126 °C · 126 °C / 15mmHg
Dichte: 0 · 0,95 g/cm3
Brechungsindex: 1.536 · 1.5360-1.5390
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 4.27 · 4.27±0.10(Predicted)
Farbe: Colorless to Red to Green
InChI: 1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
SMILES: CCCCc1ccccc1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.