1-(3-Aminophenyl)ethanol

HCID 222461CAS 2454-37-7

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Grundinformationen

Standard-SMILES: CC(O)c1cccc(N)c1
InChIKey: QPKNDHZQPGMLCJ-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 1-(3-Aminophenyl)ethanol
IUPAC: 1-(3-aminophenyl)ethanol
Lokaler Name: 1-(3-Aminophenyl)ethanol
Englischer Name: 3-(1-HYDROXYETHYL)ANILINE
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

1-(3-Aminophenyl)ethanolDTXSID901031386RefChem:423299DTXCID601516385219-525-32454-37-73-(1-Hydroxyethyl)aniline1-(3-aminophenyl)ethan-1-olm-(1-Hydroxyethyl)anilineMFCD00007798Benzyl alcohol, m-amino-alpha-methyl-Benzenemethanol, 3-amino-alpha-methyl-

Weitere Namen anzeigen

AMINO HYDROXYTIMTEC-BB SBB0085593-(A-HYDROXYETHYL)ANILINEm-(alpha-Hydroxyethyl)aniline

m-Amino-alpha-methylbenzyl alcoholNSC 62018(m-Aminophenyl)methyl carbinolNSC 8392(3-Aminophenyl)-1-ethanolBenzenemethanol, 3-amino-.alpha.-methyl-3-(.alpha.-Hydroxyethyl)-anilinem-Aminophenylmethylcarbinol

Datenbank-Bezeichner

CAS: 2454-37-7
PubChem CID: 222461
DTXSID: DTXSID901031386
EC Number: 219-525-3
Nikkaji: J36.097J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-69 °C(lit.)
Siedepunkt: 217 °C · 217 °C
Dichte: 1.063 · 1.0630 (rough estimate)
Brechungsindex: 1.547 · 1.5470 (estimate)
Flammpunkt: 157 °C · 157 °C
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 14.53 · 14.53±0.20(Predicted)
Farbe: White to Light yellow
BRN: 2802415 · 2802415
CAS Datenbank: 2454 · 2454-37-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.6%): 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, P317, 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 41 reports by companies from 4 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.