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HCID 2783413Erstellt: 26. Oktober 2026

4-Amino-2-fluorobenzonitrile

Fluoro-4-amino-benzonitrile · 4-Amino-2-fluorobenzonitrile · Benzonitrile, 4-amino-2-fluoro-

https://huagongshe.com/de/chemical/2783413

Molekülstruktur von 4-Amino-2-fluorobenzonitrile

Identifikatoren & physikalische Daten

CAS No.53312-80-4
SummenformelC7H5FN2
Durchschnittliche Molmasse136,13 g/mol
Monoisotopische Masse136,04367638 g/mol
SMILESN#Cc1ccc(N)cc1F
InChIKeyFDUGOYTWYJZNNP-UHFFFAOYSA-N
PubChem CID2783413
EC No.824-903-1
DTXSIDDTXSID50382646

Chemische & physikalische Eigenschaften

XLogP1,1
Polarare Oberfläche (TPSA)49,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen0
Schwere Atome10
Formalladung0
Komplexität160
Schmelzpunkt103-105°
Siedepunkt288.2±25.0 °C(Predicted)
Dichte1.25±0.1 g/cm3(Predicted)
Lagerbedingungen2-8°C(protect from light)
pKa (Säurekonstante)0.71±0.10(Predicted)
Aggregatzustandcrystalline solid
FarbeLight to dark brown
InChIInChI=1S/C7H5FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
InChIKeyFDUGOYTWYJZNNP-UHFFFAOYSA-N
SMILESC(#N)C1=CC=C(N)C=C1F

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 CategoriesAcute Tox. 4 (100%)
Zollcode2926907090
GefahrensymboleXi
GefahrenklasseIRRITANT