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HCID 307158Erstellt: 27. Oktober 2026

4-[(Pyridin-4-yl)methyl]aniline

AKOS B022151 · AKOS MSC-0758 · ASISCHEM C15388 · BUTTPARK 96\57-84 · IFLAB-BB F0902-4430 · ART-CHEM-BB B022151 · TIMTEC-BB SBB007147 · LABOTEST-BB LT00073086

https://huagongshe.com/de/chemical/307158

Molekülstruktur von 4-[(Pyridin-4-yl)methyl]aniline

Identifikatoren & physikalische Daten

CAS No.	27692-74-6
Summenformel	C12H12N2
Durchschnittliche Molmasse	184,24 g/mol
Monoisotopische Masse	184,10004838 g/mol
SMILES	Nc1ccc(Cc2ccncc2)cc1
InChIKey	WZXYYQHVDJMIFF-UHFFFAOYSA-N
PubChem CID	307158
EC No.	887-667-9
DTXSID	DTXSID90308562

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	38,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	156
Schmelzpunkt	152-153 °C
Siedepunkt	354.0±22.0 °C(Predicted)
Dichte	1.121±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	crystalline powder
pKa (Säurekonstante)	5.93±0.10(Predicted)
Farbe	Light yellow
InChI	1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey	WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES	Nc1ccc(Cc2ccncc2)cc1
CAS Datenbank	27692-74-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933399990
R-Sätze (R)	20/21/22-36/37/38-36-22
Gefahrensymbole	Xi,Xn
hazard_note	Harmful
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANTAcute Tox. 4 OralEye Irrit. 2
Lagerklasse	11 - Combustible Solids

CAS No.

27692-74-6

Summenformel

C12H12N2

Durchschnittliche Molmasse

184,24 g/mol

Monoisotopische Masse

184,10004838 g/mol

SMILES

Nc1ccc(Cc2ccncc2)cc1

InChIKey

WZXYYQHVDJMIFF-UHFFFAOYSA-N

PubChem CID

307158

EC No.

887-667-9

DTXSID

DTXSID90308562

Chemische & physikalische Eigenschaften

XLogP

2,2

Polarare Oberfläche (TPSA)

38,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

156

Schmelzpunkt

152-153 °C

Siedepunkt

354.0±22.0 °C(Predicted)

Dichte

1.121±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Inert atmosphere,Room temperature

Aggregatzustand

crystalline powder

pKa (Säurekonstante)

5.93±0.10(Predicted)

Farbe

Light yellow

InChI

1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2

InChIKey

WZXYYQHVDJMIFF-UHFFFAOYSA-N

SMILES

Nc1ccc(Cc2ccncc2)cc1

CAS Datenbank

27692-74-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Wassergefährdungsklasse (WGK)

WGK 3

Zollcode

2933399990

R-Sätze (R)

20/21/22-36/37/38-36-22

Gefahrensymbole

Xi,Xn

hazard_note

Harmful

Sicherheitshinweise (S)

26-36/37/39

Gefahrenklasse

IRRITANTAcute Tox. 4 OralEye Irrit. 2

Lagerklasse

11 - Combustible Solids