3-(4-Pyridyl)anilin

3-(4-Pyridyl)aniline

HCID 459523

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Grundinformationen

CAS: 40034-44-4
Standard-SMILES: Nc1cccc(-c2ccncc2)c1
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
Summenformel: C11H10N2
Durchschnittliche Molmasse: 170,21 g/mol
Monoisotopische Masse: 170,08439833

Namen und Bezeichner

Bevorzugter Name: 3-(4-Pyridyl)aniline
IUPAC: 3-pyridin-4-ylaniline
Lokaler Name: 3-(4-Pyridyl)anilin
Englischer Name: 3-Pyridin-4-ylaniline
Summenformel: C11H10N2
Molmasse: 170.21

Namen und Synonyme

40034-44-43-(4-Pyridyl)anilineEINECS 254-760-53-(4-Pyridinyl)benzenamineDTXSID50193092RefChem:493404DTXCID60115583254-760-53-pyridin-4-ylaniline3-(Pyridin-4-yl)aniline4-(3-Aminophenyl)pyridineBenzenamine, 3-(4-pyridinyl)-

Weitere Namen anzeigen

AKOS BAR-2461Compound Fr121123-(4-PYRIDINYL)ANILINE3-(PYRINDIN-4-YL)ANILINE3-(Pyridin-4-yl)aniline97%

MFCD009567583-(4-pyridyl)phenylamine3-pyridin-4-yl-phenylamine3-(pyridin-4-yl)benzenamine3-(4-Pyridinyl)-benzenamine3-(4-Pyridyl) aniline4-(m-Aminophenyl)pyridineSCHEMBL583534

Datenbank-Bezeichner

CAS: 40034-44-4
PubChem CID: 459523
DTXSID: DTXSID50193092
ChEBI: CHEBI:195078
EC Number: 254-760-5
Nikkaji: J89.332C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Schmelzpunkt: 167 °C · 167 °C
Siedepunkt: 353.6 · 353.6±25.0 °C(Predicted)
Dichte: 1.133 · 1.133±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 5.33 · 5.33±0.26(Predicted)
Farbe: Light brown
InChI: 1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)-c2ccncc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
hazard_note: Harmful
safety_code: 26
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2