3-Aminostyrene

HCID 4260041

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 15411-43-5
Standard-SMILES: C=Cc1cccc(N)c1
InChIKey: IFSSSYDVRQSDSG-UHFFFAOYSA-N
Summenformel: C8H9N
Durchschnittliche Molmasse: 119,16 g/mol
Monoisotopische Masse: 119,07349929

Namen und Bezeichner

Bevorzugter Name: 3-Aminostyrene
IUPAC: 3-ethenylaniline
Englischer Name: 3-Vinylaniline
Summenformel: C8H9N
Molmasse: 119.16

Namen und Synonyme

3-AminostyreneRefChem:497811626-660-53-Vinylaniline15411-43-53-ethenylanilinem-AMINOSTYRENEBenzenamine, 3-ethenyl-MFCD000171053-vinyl-anilineErlotinib Impurity 41SCHEMBL250060

Weitere Namen anzeigen

SKL7323-Vinyl-phenylaMine3-Ethenyl-BenzenamineErlotinib Impurity 76Erlotinib Impurity 97

CS-W011211SY014136m-Vinylaniline (contains KOH as inhibitor)3-Vinylaniline, contains KOH as inhibitor, 97%meta amino vinyl benzene3-Amino styreneErlotinib Impurity 116FT-0692280

Datenbank-Bezeichner

CAS: 15411-43-5
PubChem CID: 4260041
DTXSID: DTXSID40401335
EC Number: 626-660-5
Nikkaji: J693.746B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 98,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 212.46 °C · 212.46°C (rough estimate)
Dichte: 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.611(lit.)
Flammpunkt: 228 °F · 228 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 4.39 · 4.39±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Clear Colourless
InChI: InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InChIKey: IFSSSYDVRQSDSG-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(C=C)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2921420090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3-vinylaniline (3-VA) is a significant compound of aniline having a vinyl group and can be used for the production of fine chemicals, functionalized polymers, pigment and pharmaceuticals. Generally, 3-VA is produced by the selective hydrogenation reaction of 3-nitrostyrene (3-NS).

VerwendenThe formation of m-Vinylaniline from the reduction of m-Nitrostyrene containing an easily reducible vinyl-group using hydrazine hydrate as the reducing agent.