2-Benzyloxyaniline

HCID 240548CAS 20012-63-9

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Grundinformationen

Standard-SMILES: Nc1ccccc1OCc1ccccc1
InChIKey: PLPVLSBYYOWFKM-UHFFFAOYSA-N
Summenformel: C13H13NO
Durchschnittliche Molmasse: 199,25 g/mol
Monoisotopische Masse: 199,09971404

Namen und Bezeichner

Bevorzugter Name: 2-Benzyloxyaniline
IUPAC: 2-phenylmethoxyaniline
Englischer Name: 2-Benzyloxyaniline
Summenformel: C13H13NO
Molmasse: 199.25

Namen und Synonyme

2-Benzyloxyaniline20012-63-9DTXSID10286656RefChem:85589DTXCID50237804628-010-6PLPVLSBYYOWFKM-UHFFFAOYSA-N2-(benzyloxy)aniline2-phenylmethoxyanilineBenzenamine, 2-(phenylmethoxy)-MFCD030938732-benzyloxy aniline

Weitere Namen anzeigen

2-Benzyloxyaniline hydrochlorideNSC 46882AKOS BC-2534AKOS BBB/397AKOS B0331672-Benzyloxy Anilline2-Benzyloxyaniline,97%

2-benzyloxy-phenylamineMJWNSC46882o-(Benzyloxy)anilineO-Benzyl-o-aminophenol2-(Benzyloxy)-aniline2-(benzyloxy)benzenamine2-Benzyloxyaniline, 97%

Datenbank-Bezeichner

CAS: 20012-63-9
PubChem CID: 240548
DTXSID: DTXSID10286656
EC Number: 628-010-6
Nikkaji: J1.278.316G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-39 °C (lit.)
Siedepunkt: 113 °C/0.1mmHg · 113°C/0.1mmHg(lit.)
Dichte: 1.129 · 1.129±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
pka: 4.4 · 4.40±0.10(Predicted)
Aggregatzustand: Crystalline Powder or Lms
Farbe: White to gray to brown
InChI: 1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey: PLPVLSBYYOWFKM-UHFFFAOYSA-N
SMILES: Nc1ccccc1OCc2ccccc2
CAS Datenbank: 20012 · 20012-63-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29221990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Benzyloxyaniline was used to investigate crystal structure of benzyloxybenzoic acids and benzyloxyanilines by X-ray powder diffraction technique. It was also used in the synthesis of 2-benzyloxyphenylhydrazine.