4-Isopropoxyanilin

4-Isopropoxyaniline

HCID 82112CAS 7664-66-6

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Grundinformationen

Standard-SMILES: CC(C)Oc1ccc(N)cc1
InChIKey: MLNFMFAMNBGAQT-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 4-Isopropoxyaniline
IUPAC: 4-propan-2-yloxyaniline
Lokaler Name: 4-Isopropoxyanilin
Englischer Name: 4-Isopropoxyaniline
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

4-Isopropoxyaniline7664-66-6EINECS 231-636-94-(1-Methylethoxy)benzenamineDTXSID90227461RefChem:524315DTXCID90149952231-636-94-(propan-2-yloxy)anilinep-Isopropoxyaniline4-propan-2-yloxyanilineBenzenamine, 4-(1-methylethoxy)-

Weitere Namen anzeigen

AKOS BBB/094AKOS BC-25694-isopropoxyanlineTIMTEC-BB SBB0103304-ISOPROPOXYLANILINETandutinib Impurity 44-Isopropoxyaniline>

MFCD000591884-isopropoxy-aniline4-(methylethoxy)phenylamine4-[(1-Methylethyl)oxy]aniline4-IsopropoxybenzenamineSB405234-isopropyloxyaniline4-Isopropoxy-phenylamine

Datenbank-Bezeichner

CAS: 7664-66-6
PubChem CID: 82112
DTXSID: DTXSID90227461
EC Number: 231-636-9
Nikkaji: J208.654I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 106

Physikochemische Eigenschaften

Schmelzpunkt: 244 °C · 244 °C (decomp)
Siedepunkt: 95 °C · 95°C 0,4mm
Dichte: 1.03 · 1.03
Brechungsindex: 1.543 · 1.5430-1.5470
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: clear liquid
pka: 6.15 · 6.15±0.10(Predicted)
Farbe: Colorless to Red to Green
LogP: 1.62 · 1.620 (est)
CAS Datenbank: 7664 · 7664-66-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

Sicherheitsdaten

hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Isopropoxyaniline is an aniline derivative used as a raw material or intermediate component in organic synthesis. It can be used in the preparation of pyrimidines and their derivatives. Anilines are toxic to humans and can cause strong skin and eye irritation on contact or ingestion, as well as some damage to the liver and kidneys.